SCHEMBL8330624

SCHEMBL8330624

COC(=O)c1c(SCc2ccc(OC)cc2)nc(-c2ccccc2)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.40
EDNRA P25101 1/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
BRS3 P32247 1/20 0.39
MAPK8 P45983 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE6D O43924 1/20 0.39

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
SCHEMBL6580208 0.94 EDNRB (0.45) EDNRBEDNRATP53BRS3
SCHEMBL8431736 0.89 BRS3 (0.42) EDNRAMAPTBRS3LMNAKMT2A
SCHEMBL8329557 0.89 MEN1 (0.39) EDNRBEDNRATP53MAPTPOLB
SCHEMBL8434942 0.88 BRS3 (0.42) BRS3LMNAKMT2A
SCHEMBL8323946 0.88 EDNRB (0.40) EDNRBEDNRABRS3LMNA
SCHEMBL6580124 0.85 MEN1 (0.41) EDNRBEDNRATP53MAPTBRS3
SCHEMBL8434873 0.84 EDNRA (0.45) EDNRBEDNRATP53MAPTBRS3
SCHEMBL6582508 0.84 EDNRA (0.43) EDNRBEDNRAKMT2A
SCHEMBL7501396 0.82 EDNRA (0.45) EDNRBEDNRABRS3LMNAKMT2A
SCHEMBL6580278 0.82 EDNRA (0.45) EDNRBEDNRA

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