SCHEMBL11269437

SCHEMBL11269437

Cc1ccc(CC2(CCCn3ccnc3)SCCS2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.49
CYP19A1 P11511 2/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
PRKCI P41743 1/20 0.47
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.41
HMOX1 P09601 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL11251892 0.95 QPCT (0.47) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11270175 0.93 CYP11B1 (0.51) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11261083 0.89 QPCT (0.45) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11261242 0.88 CYP19A1 (0.46) QPCTCYP19A1PRKCIHMOX1
SCHEMBL11255945 0.88 QPCT (0.43) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11263853 0.88 HMOX1 (0.56) CYP19A1CYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL11258631 0.88 CYP11B1 (0.49) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11262189 0.88 CYP2A6 (0.50) QPCTCYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL11265418 0.87 MEN1 (0.54) QPCTCYP19A1ALDH1A1LMNATSHR
SCHEMBL11271243 0.85 QPCT (0.44) QPCTCYP19A1CYP11B1CYP11B2PRKCI

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