SCHEMBL4069839

SCHEMBL4069839

O=c1cc(-c2ccncc2)oc2c1ccc1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 14/20 1.00
CYP1B1 Q16678 14/20 1.00
CYP1A2 P05177 13/20 1.00
POLB P06746 1/20 1.00
CFTR P13569 1/20 1.00
PRKDC P78527 4/20 0.78
KDM4E B2RXH2 2/20 0.78
ABCB1 P08183 2/20 0.78
ABCC1 P33527 2/20 0.78
ABCG2 Q9UNQ0 2/20 0.78
PDE5A O76074 1/20 0.78
ALDH1A1 P00352 1/20 0.78
TP53 P04637 1/20 0.78
CYP3A4 P08684 1/20 0.78
CYP2D6 P10635 1/20 0.78
MAPT P10636 1/20 0.78
CYP19A1 P11511 1/20 0.78
CYP2C9 P11712 1/20 0.78
HPGD P15428 1/20 0.78
TSHR P16473 1/20 0.78

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30917246 1.00 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2POLBCFTR
Alpha-Naphthoflavone SCHEMBL29351090 0.88 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2POLBCFTR
Alpha-Naphthoflavone SCHEMBL121594 0.88 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2POLBCFTR
SCHEMBL31061509 0.85 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2POLBCFTR
SCHEMBL20594586 0.83 CYP1A1 (0.78) CYP1A1CYP1B1CYP1A2POLBCFTR
SCHEMBL29407618 0.83 CYP1A1 (0.78) CYP1A1CYP1B1CYP1A2POLBCFTR
SCHEMBL31061133 0.83 PRKDC (1.00) CYP1A1CYP1B1CYP1A2POLBCFTR
Alpha-Naphthoflavone SCHEMBL17292887 0.81 CYP1A1 (0.84) CYP1A1CYP1B1CYP1A2POLBCFTR
SCHEMBL4650874 0.80 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2POLBCFTR
Alpha-Naphthoflavone SCHEMBL3665037 0.80 CYP1A1 (0.82) CYP1A1CYP1B1CYP1A2POLBCFTR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200206198-A1 CFTR CHANNEL ACTIVATOR FOR USE IN THE TREATMENT AND/OR PREVENTION OF GLUTEN SENSITIVITY CONDITIONS MAIURI LUIGI (IT) 2020-07-02 US claimed
EP-3658136-A1 CFTR CHANNEL ACTIVATOR FOR USE IN THE TREATMENT AND/OR PREVENTION OF GLUTEN SENSITIVITY CONDITIONS Raia, Valeria (IT) 2020-06-03 EP claimed
WO-2019020663-A1 CFTR CHANNEL ACTIVATOR FOR USE IN THE TREATMENT AND/OR PREVENTION OF GLUTEN SENSITIVITY CONDITIONS MAIURI LUIGI (IT) 2019-01-31 WO claimed
US-11988661-B2 Rapid quantitative test to diagnose polycystic kidney disease UMC UTRECHT HOLDING, B.V. (NL) 2024-05-21 US disclosed
US-20210333266-A1 RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL UMC UTRECHT HOLDING, B.V. (NL) 2021-10-28 US disclosed
US-20210333266-A1 RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL UMC UTRECHT HOLDING, B.V. (NL) 2021-10-28 US disclosed
US-11035852-B2 Identifying drug candidates for treating polycystic kidney disease using organoids generated from primary cells UMC UTRECHT HOLDING, B.V. (NL) 2021-06-15 US disclosed
US-20200206198-A1 CFTR CHANNEL ACTIVATOR FOR USE IN THE TREATMENT AND/OR PREVENTION OF GLUTEN SENSITIVITY CONDITIONS MAIURI LUIGI (IT) 2020-07-02 US disclosed
EP-3658136-A1 CFTR CHANNEL ACTIVATOR FOR USE IN THE TREATMENT AND/OR PREVENTION OF GLUTEN SENSITIVITY CONDITIONS Raia, Valeria (IT) 2020-06-03 EP disclosed
WO-2019020663-A1 CFTR CHANNEL ACTIVATOR FOR USE IN THE TREATMENT AND/OR PREVENTION OF GLUTEN SENSITIVITY CONDITIONS MAIURI LUIGI (IT) 2019-01-31 WO disclosed
EP-3045912-B1 A RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL UMC UTRECHT HOLDING BV (NL) 2018-09-19 EP disclosed
EP-2795322-B1 A RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL UMC UTRECHT HOLDING BV (NL) 2015-12-09 EP disclosed
US-20150276719-A2 A RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL UMC UTRECHT HOLDING B.V. (NL) 2015-10-01 US disclosed
US-20150276719-A2 A RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL UMC UTRECHT HOLDING B.V. (NL) 2015-10-01 US disclosed
US-20150276719-A2 A RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL UMC UTRECHT HOLDING B.V. (NL) 2015-10-01 US disclosed
WO-2015018831-A1 LIGASE E3 RNF185 INHIBITORS AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-02-12 WO disclosed
EP-2835423-A1 Ligase E3 RNF185 inhibitors and uses thereof Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2015-02-11 EP disclosed
US-20150011420-A1 RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL UMC UTRECHT HOLDING B.V. (NL) 2015-01-08 US disclosed
WO-2013093812-A2 A RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL UMC UTRECHT HOLDING B.V. (NL) 2013-06-27 WO disclosed
WO-2009105234-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH DEFECTS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR GENE OR PROTEIN COMBINATORX, INCORPORATED (US) 2009-08-27 WO disclosed