SCHEMBL11271243

SCHEMBL11271243

Cc1ccc(CC2(CCCn3ccnc3)SCC(C)S2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.44
CYP19A1 P11511 2/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
PRKCI P41743 1/20 0.42
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.38
HMOX1 P09601 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL11267712 0.93 CYP19A1 (0.46) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11257562 0.90 HMOX1 (0.50) CYP19A1CYP11B1CYP11B2PRKCIHMOX1
SCHEMBL11263977 0.90 CYP19A1 (0.41) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11261083 0.90 QPCT (0.45) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11255945 0.89 QPCT (0.43) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11262883 0.89 QPCT (0.42) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11268918 0.89 MEN1 (0.49) QPCTCYP19A1ALDH1A1TSHRTDP1
SCHEMBL11256380 0.89 KMT2A (0.47) CYP19A1PRKCIALDH1A1HMOX1KDM4E
SCHEMBL11267354 0.88 NOS1 (0.47) QPCTCYP19A1PRKCIHMOX1POLB
SCHEMBL11256840 0.86 CYP11B1 (0.48) QPCTCYP19A1CYP11B1CYP11B2HMOX1

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