SCHEMBL9470300

SCHEMBL9470300

O=C1C(Sc2ccccc2)c2cccnc2N1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
OPRK1 P41145 1/20 0.39
RAD51 Q06609 1/20 0.38
KAT2B Q92831 1/20 0.38
GAA P10253 3/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.37
ADAM17 P78536 1/20 0.36
BCL2A1 Q16548 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 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
SCHEMBL9469283 0.87 ALDH1A1 (0.39) MAPTGAAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL9469385 0.87 GAA (0.39) MAPTKAT2BGAAALDH1A1SMN1; SMN2
SCHEMBL4690229 0.87 ALDH1A1 (0.34) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL9470368 0.85 ALDH1A1 (0.43) MAPTKAT2BGAAALDH1A1SMN1; SMN2
SCHEMBL9470503 0.82 ALDH1A1 (0.40) MAPTGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL9470466 0.82 KMT2A (0.47) MAPTGAAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL9469535 0.79 ALDH1A1 (0.50) MAPTGAAALDH1A1CYP1A2ALKBH5
SCHEMBL9470341 0.78 MEN1 (0.40) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL9470196 0.78 ALDH1A1 (0.39) MAPTGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL9470115 0.75 ALDH1A1 (0.45) MAPTKAT2BGAAALDH1A1SMN1; SMN2

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 3 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 claimed
EP-0419561-A1 HETEROBICYCLIC COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY SCHERING CORPORATION (US) 1991-04-03 EP claimed
WO-1989012637-A1 HETEROBICYCLIC COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY SCHERING CORPORATION (US) 1989-12-28 WO claimed