SCHEMBL11256993

SCHEMBL11256993

CCCCC1CSC(CCCc2ccc(C)cc2)(Cn2ccnc2)S1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HMOX1 P09601 4/20 0.37

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
SCHEMBL11265934 0.95 CYP19A1 (0.40) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11253955 0.93 HMOX1 (0.37) HMOX1
SCHEMBL11267725 0.91 HMOX1 (0.46) HMOX1
SCHEMBL11267853 0.91 CYP1A2 (0.37) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11259093 0.91 CYP19A1 (0.41) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11253418 0.91 CYP19A1 (0.38) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11273780 0.89 CYP11B1 (0.41) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11266438 0.88 HMOX1 (0.40) HMOX1
SCHEMBL11268425 0.86 HMOX1 (0.49) HMOX1
SCHEMBL11269550 0.86 CYP19A1 (0.39) CYP19A1CYP11B1CYP11B2HMOX1

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