SCHEMBL9469385

SCHEMBL9469385

O=C1C(Sc2ccccc2)c2cccnc2N1c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMO Q99835 2/20 0.36
EP300 Q09472 1/20 0.34
CREBBP Q92793 1/20 0.34
KAT2A Q92830 1/20 0.34
KAT2B Q92831 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL9470503 0.95 ALDH1A1 (0.40) GAAALDH1A1MAPTPOLBHPGD
SCHEMBL9470368 0.91 ALDH1A1 (0.43) GAAALDH1A1MAPTPOLBHPGD
SCHEMBL4690229 0.90 ALDH1A1 (0.34) GAAALDH1A1MAPTPOLBHPGD
SCHEMBL9469283 0.88 ALDH1A1 (0.39) GAAALDH1A1MAPTPOLBHPGD
SCHEMBL9470466 0.87 KMT2A (0.47) GAAALDH1A1MAPTHPGDLMNA
SCHEMBL9470300 0.87 MAPT (0.39) GAAALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9470196 0.81 ALDH1A1 (0.39) GAAALDH1A1MAPTHPGDLMNA
SCHEMBL9470115 0.80 ALDH1A1 (0.45) GAAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL9470341 0.78 MEN1 (0.40) GAAALDH1A1MAPTPOLBLMNA
SCHEMBL9469535 0.78 ALDH1A1 (0.50) GAAALDH1A1MAPTPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5182289-A Pyrrolo 2,3-b!Pyridin-2-one Derivatives SCHERING CORPORATION (US) 1993-01-26 US disclosed
EP-0419561-A1 HETEROBICYCLIC COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY SCHERING CORPORATION (US) 1991-04-03 EP disclosed
WO-1989012637-A1 HETEROBICYCLIC COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY SCHERING CORPORATION (US) 1989-12-28 WO disclosed
EP-0347698-A1 Heterobicyclic compounds having antiinflammatory activity SCHERING CORPORATION (US) 1989-12-27 EP disclosed