SCHEMBL8323946

SCHEMBL8323946

COC(=O)c1c(SCc2ccc(OC)cc2)nc(Sc2ccccc2)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 7/20 0.40
EDNRA P25101 7/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRS3 P32247 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
LMNA P02545 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
SCHEMBL6580278 0.94 EDNRA (0.45) EDNRBEDNRAKDM4EALDH1A1HPGD
SCHEMBL8434942 0.91 BRS3 (0.42) KDM4EALDH1A1HPGDSMN1; SMN2BRS3
SCHEMBL6580281 0.88 KDM4E (0.39) EDNRBEDNRAKDM4EALDH1A1HPGD
SCHEMBL8524654 0.88 SMN1; SMN2 (0.39) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8330624 0.88 EDNRB (0.40) EDNRBEDNRABRS3LMNA
SCHEMBL8431736 0.86 BRS3 (0.42) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6580198 0.86 EDNRA (0.44) EDNRBEDNRAKDM4EALDH1A1HPGD
SCHEMBL7501396 0.86 EDNRA (0.45) EDNRBEDNRAKDM4EALDH1A1HPGD
SCHEMBL6580054 0.86 BRS3 (0.39) EDNRBEDNRAKDM4EALDH1A1HPGD
SCHEMBL6579920 0.84 EDNRA (0.46) EDNRBEDNRAKDM4EALDH1A1HPGD

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-5856509-A HYPOTENSIVE AGENTS ROUSSEL UCLAF (FR) 1999-01-05 US disclosed