SCHEMBL5245809

SCHEMBL5245809

Cc1c[nH]c2ccc3ccsc3c2c1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CYP2A6 P11509 1/20 0.30
PIM1 P11309 1/20 0.30
ATM Q13315 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3840990 0.78 CYP1A2 (0.54) SMN1; SMN2
SCHEMBL5665566 0.76 GABRA1 (0.54)
SCHEMBL5246798 0.75 MAPT (0.33) ATMRAB9ASMN1; SMN2
SCHEMBL3842038 0.75 GABRA1 (0.39) SMN1; SMN2
SCHEMBL3840992 0.75 HSD17B10 (0.35)
SCHEMBL3840439 0.72 CYP1A2 (0.36) CYP2A6
SCHEMBL16730912 0.71 GPR84 (0.56) GPR84HTR2ACYP2A6ATM
SCHEMBL5039480 0.68
SCHEMBL15730301 0.66 PDE3B (0.37) GPR84ATM
SCHEMBL4418345 0.64 ATM (0.48) GPR84HTR2AHTR2CHTR2BATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833830-A1 QUINOLINE DERIVATIVE, USE AND PRODUCTION THEREOF, AND DRUG CONTAINING THE SAME Bayer Schering Pharma Aktiengesellschaft (DE) 2007-09-19 EP disclosed
WO-2006066955-A1 QUINOLINE DERIVATIVE, USE AND PRODUCTION THEREOF, AND DRUG CONTAINING THE SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed