SCHEMBL11257609

SCHEMBL11257609

CCC1CSC(Cc2ccc(Cl)cc2Cl)(Cn2ccnc2)S1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.39
FNTB P49356 5/20 0.39
CYP2C9 P11712 4/20 0.39
CYP17A1 P05093 4/20 0.39
PGR P06401 3/20 0.39
ADORA3 P0DMS8 3/20 0.39
CHRM3 P20309 3/20 0.39
SLC6A2 P23975 3/20 0.39
HTR2A P28223 3/20 0.39
SLC6A4 P31645 3/20 0.39
DRD3 P35462 3/20 0.39
OPRD1 P41143 3/20 0.39
SLC6A3 Q01959 3/20 0.39
KCNH2 Q12809 3/20 0.39
CHRM2 P08172 2/20 0.39
CYP3A4 P08684 2/20 0.39
ADRA2A P08913 2/20 0.39
CYP2D6 P10635 2/20 0.39
CHRM1 P11229 2/20 0.39
ADRB3 P13945 2/20 0.39

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
SCHEMBL11252157 0.90 FNTA (0.38) FNTAFNTBCYP2C9CYP17A1PGR
SCHEMBL11256372 0.90 HMOX1 (0.39) FNTAFNTBCYP2C9CYP17A1PGR
SCHEMBL11252816 0.90 FNTA (0.38) FNTAFNTBCYP2C9CYP17A1PGR
SCHEMBL11265549 0.89 ADRA2C (0.41) FNTAFNTBCYP2C9CYP17A1PGR
SCHEMBL11266974 0.89 CYP17A1 (0.38) FNTAFNTBCYP2C9CYP17A1PGR
SCHEMBL11269111 0.88 ADRA2C (0.41) FNTAFNTBCYP2C9CYP17A1PGR
SCHEMBL11258724 0.87 ADRA2C (0.34) CYP17A1LMNACYP19A1ADRA2CCYP21A2
SCHEMBL11265306 0.85 CYP2A6 (0.45) CYP19A1CYP11B1
SCHEMBL11268945 0.85 ADRA2C (0.42) FNTAFNTBCYP2C9CYP17A1PGR
SCHEMBL11254753 0.83 FNTA (0.38) FNTAFNTBCYP2C9CYP17A1PGR

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