SCHEMBL11261083

SCHEMBL11261083

Cc1ccc(CC2(CCCn3ccnc3)SCC(C)CS2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.45
CYP19A1 P11511 2/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
PRKCI P41743 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.38
HMOX1 P09601 1/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL11265597 0.90 CYP2A6 (0.45) CYP19A1CYP11B1CYP11B2ALDH1A1HMOX1
SCHEMBL11271243 0.90 QPCT (0.44) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11265592 0.90 CYP19A1 (0.42) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11265390 0.89 CYP11B1 (0.45) QPCTCYP11B1CYP11B2PRKCIALDH1A1
SCHEMBL11269437 0.89 QPCT (0.49) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11262389 0.88 CYP19A1 (0.44) CYP19A1PRKCIHMOX1
SCHEMBL11251892 0.86 QPCT (0.47) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11262883 0.85 QPCT (0.42) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11262929 0.84 QPCT (0.40) QPCTCYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL11255945 0.84 QPCT (0.43) 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