SCHEMBL11264753

SCHEMBL11264753

CC1CSC(CCc2ccc(Br)cc2)(CCn2ccnc2)S1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 4/20 0.51
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL11255079 0.90 HMOX1 (0.41) HMOX1CYP19A1
SCHEMBL11255804 0.90 HMOX1 (0.56) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11264326 0.90 HMOX1 (0.46) HMOX1CYP19A1CYP11B1CYP11B2MAPK1
SCHEMBL11251457 0.90 CYP19A1 (0.45) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11269517 0.89 HMOX1 (0.52) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11257567 0.89 HMOX1 (0.43) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11262092 0.89 HMOX1 (0.48) HMOX1CYP19A1CYP11B1CYP11B2MAPK1
SCHEMBL11253331 0.87 CYP3A4 (0.45) HMOX1CYP19A1CYP11B1MAPK1
SCHEMBL11270889 0.86 HMOX1 (0.48) HMOX1CYP19A1
SCHEMBL11261249 0.84 HMOX1 (0.58) HMOX1CYP19A1CYP11B1CYP11B2MAPK1

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