SCHEMBL7773807

SCHEMBL7773807

Cc1cc(Cc2ccsc2)c(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOA P21397 1/20 0.41
ELANE P08246 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
RCE1 Q9Y256 1/20 0.38
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7773577 0.93 KAT2B (0.47) KAT2BNPC1RAB9ACASP1SMN1; SMN2
SCHEMBL7380302 0.90 NPC1 (0.48) KAT2BNPC1RAB9ACASP1SMN1; SMN2
SCHEMBL8123909 0.85 CYP1A2 (0.45) KAT2BNPC1RAB9ACASP1SMN1; SMN2
SCHEMBL7773547 0.83 SMN1; SMN2 (0.43) KAT2BNPC1RAB9ACASP1SMN1; SMN2
SCHEMBL7773573 0.78 KAT2B (0.44) KAT2BNPC1RAB9ACASP1SMN1; SMN2
SCHEMBL7773572 0.78 F2 (0.44) KAT2BNPC1RAB9ACASP1SMN1; SMN2
SCHEMBL7772066 0.78 SMN1; SMN2 (0.44) KAT2BNPC1RAB9ACASP1SMN1; SMN2
SCHEMBL7771913 0.77 CASP1 (0.49) KAT2BNPC1RAB9ACASP1SMN1; SMN2
SCHEMBL7775662 0.76 KAT2B (0.43) KAT2BNPC1RAB9ACASP1SMN1; SMN2
SCHEMBL8124061 0.76 FPR1 (0.41) RAB9AALDH1A1KDM4EMAPK1RCE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6252082-B1 CARDIOVASCUALR DISORDERS SANOFI-SYNTHELABO (FR) 2001-06-26 US disclosed