SCHEMBL8023830

SCHEMBL8023830

COc1ccccc1-c1nc2ccccc2n1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.58
KDM4E B2RXH2 3/20 0.58
LMNA P02545 3/20 0.58
HTT P42858 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MAPK1 P28482 1/20 0.55
PDE2A O00408 1/20 0.54
PDE10A Q9Y233 1/20 0.54
ALDH1A1 P00352 3/20 0.53
PRNP P04156 1/20 0.53
HPGD P15428 1/20 0.53
PPARG P37231 1/20 0.53
GFER P55789 1/20 0.53
NCOA2 Q15596 1/20 0.53
NCOA1 Q15788 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
ESR1 P03372 3/20 0.50

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
SCHEMBL28719281 0.86 KDM4E (0.53) RECQLKDM4ELMNAHTTNPSR1
SCHEMBL29445669 0.86 KDM4E (0.53) RECQLKDM4ELMNAHTTNPSR1
SCHEMBL15382350 0.85 RECQL (0.50) RECQLKDM4ELMNAHTTNPSR1
SCHEMBL18976993 0.85 RECQL (0.58) RECQLKDM4ELMNAHTTNPSR1
SCHEMBL18893214 0.85 RECQL (0.58) RECQLKDM4ELMNAHTTNPSR1
SCHEMBL13085156 0.84 RECQL (0.71) RECQLKDM4ELMNAHTTMAPK1
SCHEMBL3473850 0.82 RECQL (0.69) RECQLKDM4ELMNAHTTMAPK1
SCHEMBL12854005 0.82 RECQL (0.69) RECQLKDM4ELMNAHTTMAPK1
SCHEMBL8010509 0.81 RECQL (0.64) RECQLHTTMAPK1ALDH1A1ESR1
Lithium Ion SCHEMBL18696070 0.81 NPSR1 (0.48) RECQLKDM4ELMNAHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3147958-B1 ORGANIC ELECTROLUMINESCENT DEVICES COMPRISING BORANE COMPOUNDS NOVALED GMBH (DE) 2019-10-23 EP disclosed
US-6030992-A ANTAGONISTS FOR THE BINDING OF NEUROKININ-2 RECEPTOR; SLEEP DISORDERS; BENZIMIDES, 2- OR 3-ALKOXYBENZIMIDES AND 2,3-DIALKOXYBENZIMIDES ELI LILLY AND COMPANY (US) 2000-02-29 US disclosed
US-6025379-A A SUBSTITUTED BENZIMIDAZOLE, TACHYKININ RECEPTOR ANTAGONISTS, ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed
US-5928802-A ORGANOMETALLIC COMPLEX LUMINESCENT MATERIALS FOR EFFICIENTLY PRODUCING BLUE LIGHT EMISSION EASTMAN KODAK COMPANY (US) 1999-07-27 US disclosed
EP-0878529-A2 Novel blue luminescent materials for organic electroluminescent devices EASTMAN KODAK COMPANY (US) 1998-11-18 EP disclosed
US-5755999-A Blue luminescent materials for organic electroluminescent devices EASTMAN KODAK COMPANY (US) 1998-05-26 US disclosed
WO-1997033873-A1 METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS ELI LILLY AND COMPANY (US) 1997-09-18 WO disclosed
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 WO disclosed
US-5552426-A NERVOUS SYSTEM DISORDERS USING IMIDAZOLE DERIVITIVES ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
EP-0694535-A1 Non-peptidyl tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-01-31 EP disclosed