SCHEMBL5246798

SCHEMBL5246798

Cc1c[nH]c2ccc3sccc3c2c1=O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 2/20 0.31
CYP1A2 P05177 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 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
SCHEMBL5245809 0.75 GPR84 (0.33) ATMRAB9ASMN1; SMN2
SCHEMBL3840526 0.75 HSD17B10 (0.38) KDM4EALDH1A1HTTHSD17B10CYP1A2
SCHEMBL3842031 0.72 CYP1A2 (0.36) ALDH1A1HSD17B10CYP1A2KMT2A
SCHEMBL16730912 0.67 GPR84 (0.56) ATMCYP1A2NPC1
SCHEMBL18805430 0.65 CYP2A6 (0.46) MAPTKDM4EATMALDH1A1GAA
SCHEMBL4419977 0.65 ATM (0.34) ATM
SCHEMBL4418345 0.64 ATM (0.48) MAPTKDM4EATMALDH1A1MEN1
SCHEMBL2030771 0.64 GPR84 (0.43) ATMALDH1A1GAAPOLB
SCHEMBL15359202 0.62 CYP2A6 (0.35) MAPTKDM4EALDH1A1GAAHTT
SCHEMBL15716703 0.62 PARP1 (0.40) KDM4EALDH1A1MEN1RAB9AKMT2A

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