SCHEMBL11262883

SCHEMBL11262883

CCC1CSC(CCCn2ccnc2)(Cc2ccc(C)cc2)S1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.42
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PRKCI P41743 1/20 0.40
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HMOX1 P09601 1/20 0.36
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL11261780 0.94 CYP19A1 (0.43) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11270747 0.93 QPCT (0.41) QPCTCYP19A1PRKCIALDH1A1KDM4E
SCHEMBL11265012 0.91 QPCT (0.40) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11262062 0.91 HMOX1 (0.47) CYP19A1CYP11B1CYP11B2PRKCIKDM4E
SCHEMBL11257172 0.91 CYP19A1 (0.40) CYP19A1PRKCIHMOX1
SCHEMBL11267577 0.91 CYP2A6 (0.41) CYP19A1CYP11B1CYP11B2ALDH1A1HMOX1
SCHEMBL11250043 0.91 CYP19A1 (0.39) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11255293 0.89 MEN1 (0.47) QPCTCYP19A1ALDH1A1TSHRKDM4E
SCHEMBL11271243 0.89 QPCT (0.44) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11258691 0.88 NOS1 (0.44) QPCTCYP19A1PRKCIHMOX1POLB

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