SCHEMBL11255306

SCHEMBL11255306

CCC1CSC(Cc2ccc(Br)cc2)(Cn2ccnc2)S1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 3/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MAPK1 P28482 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
SCHEMBL11267566 0.91 QPCT (0.35) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11270475 0.90 CYP11B1 (0.45) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11271370 0.89 HMOX1 (0.44) HMOX1CYP19A1CYP11B1CYP11B2MAPK1
SCHEMBL11260146 0.89 HMOX1 (0.53) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11265306 0.89 CYP2A6 (0.45) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11259935 0.89 HMOX1 (0.38) HMOX1
SCHEMBL11266363 0.89 CYP11B1 (0.42) CYP19A1CYP11B1CYP11B2
SCHEMBL11261786 0.88 CYP19A1 (0.47) HMOX1CYP19A1CYP11B1CYP11B2MAPK1
SCHEMBL11262062 0.88 HMOX1 (0.47) HMOX1CYP19A1CYP11B1CYP11B2MAPK1
SCHEMBL11263551 0.88 HMOX1 (0.48) HMOX1CYP19A1CYP11B1CYP11B2

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-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US disclosed