SCHEMBL11268467

SCHEMBL11268467

Cc1cc(C)cc(CC2(Cn3ccnc3)SCCS2)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.54
CYP11B2 P19099 7/20 0.54
CYP19A1 P11511 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL11272520 0.87 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1KMT2AMEN1
SCHEMBL11258326 0.87 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1KMT2A
SCHEMBL11270651 0.86 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1
SCHEMBL11260166 0.85 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1KMT2AMEN1
SCHEMBL11264966 0.85 CYP11B1 (0.49) CYP11B1CYP11B2CYP19A1KMT2AMEN1
SCHEMBL11271468 0.84 CYP11B1 (0.43) CYP11B1CYP11B2CYP19A1KMT2AMEN1
SCHEMBL11271165 0.84 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1KMT2A
SCHEMBL11268909 0.82 CYP11B1 (0.49) CYP11B1CYP11B2CYP19A1KMT2AMEN1
SCHEMBL11262618 0.82 CYP11B1 (0.49) CYP11B1CYP11B2CYP19A1KMT2A
SCHEMBL11257492 0.82 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1

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