SCHEMBL11257474

SCHEMBL11257474

CCc1ccc(CC2(Cn3ccnc3)SCCC(CC)S2)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.36
HMOX1 P09601 3/20 0.34
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL11265520 0.92 HMOX1 (0.43) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11264053 0.91 CYP11B1 (0.40) QPCTCYP19A1CYP11B1CYP11B2
SCHEMBL11256462 0.90 LMNA (0.38) QPCTHMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11267566 0.89 QPCT (0.35) QPCTHMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11250126 0.89 HMOX1 (0.38) QPCTHMOX1CYP19A1
SCHEMBL11270017 0.88 QPCT (0.42) QPCTHMOX1CYP19A1
SCHEMBL11271468 0.86 CYP11B1 (0.43) CYP19A1CYP11B1CYP11B2
SCHEMBL11253824 0.85 QPCT (0.42) QPCTHMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL10782900 0.84 CYP11B1 (0.38) QPCTCYP11B1CYP11B2
SCHEMBL11259555 0.83 CYP19A1 (0.40) QPCTHMOX1CYP19A1CYP11B1CYP11B2

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