SCHEMBL14280374

SCHEMBL14280374

c1ccc2c(CN3CCOCC3)c3ccccc3c(CN3CCOCC3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 1.00
ALDH1A1 P00352 3/20 1.00
MEN1 O00255 1/20 1.00
KDM4E B2RXH2 3/20 0.63
MAPT P10636 2/20 0.63
CYP2A13 Q16696 7/20 0.61
GAA P10253 2/20 0.58
HSD17B10 Q99714 2/20 0.58
GLA P06280 1/20 0.58
HPGD P15428 1/20 0.58
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CXCR4 P61073 1/20 0.53
CYP2C9 P11712 2/20 0.52
ERN1 O75460 1/20 0.52
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL29422865 1.00 KMT2A (1.00) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL15827158 0.93 ALDH1A1 (0.86) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL15827157 0.85 ALDH1A1 (0.73) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL27082943 0.84 ALDH1A1 (0.72) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL14280375 0.81 ALDH1A1 (0.65) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL31613082 0.78 ALDH1A1 (0.64) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL11193326 0.78 CYP2A13 (0.75) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL1719771 0.78 ALDH1A1 (0.62) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL6057649 0.78 KDM4E (1.00) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL102338 0.77 SIGMAR1 (0.71) KMT2AALDH1A1MEN1KDM4ECYP2A13

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180120325-A1 Sequence Specific Fluorescence for Peptide-Fluorochrome Interactions MedChem Imaging (US) 2018-05-03 US disclosed
US-20180120325-A1 Sequence Specific Fluorescence for Peptide-Fluorochrome Interactions MedChem Imaging (US) 2018-05-03 US disclosed
US-8759112-B2 Multifunctional reference system for analyte determinations by fluorescence ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2014-06-24 US disclosed
US-8759112-B2 Multifunctional reference system for analyte determinations by fluorescence ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2014-06-24 US disclosed
US-20080014655-A1 Multifunctional Reference System For Analyte Determinations By Fluorescence ROCHE DIAGNOSTICS OPERATIONS, INC. (IN) 2008-01-17 US disclosed
US-20080014655-A1 Multifunctional Reference System For Analyte Determinations By Fluorescence ROCHE DIAGNOSTICS OPERATIONS, INC. (IN) 2008-01-17 US disclosed