SCHEMBL8329175

SCHEMBL8329175

COc1ccccc1Sc1nc(Sc2ccccc2OC)n(Cc2cc3c(cc2Cl)OCO3)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EDNRB P24530 4/20 0.40

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
SCHEMBL7548343 0.92 EDNRA (0.45) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6580198 0.83 EDNRA (0.44) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6580025 0.83 KDM4E (0.36) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6579920 0.82 EDNRA (0.46) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6580278 0.79 EDNRA (0.45) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8434266 0.77 EDNRA (0.44) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7494883 0.76 EDNRA (0.46) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7501396 0.76 EDNRA (0.45) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6582508 0.76 EDNRA (0.43) EDNRAALDH1A1EDNRB
SCHEMBL6582430 0.75 EDNRA (0.43) EDNRAALDH1A1SMN1; SMN2EDNRB

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