SCHEMBL11252157

SCHEMBL11252157

CCC1CSC(CCn2ccnc2)(Cc2ccc(Cl)cc2Cl)S1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.38
FNTB P49356 5/20 0.38
PGGT1B P53609 2/20 0.38
CYP2C9 P11712 4/20 0.38
PGR P06401 2/20 0.38
CHRM2 P08172 2/20 0.38
CYP3A4 P08684 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
CYP2D6 P10635 2/20 0.38
CHRM1 P11229 2/20 0.38
ADRB3 P13945 2/20 0.38
IDO1 P14902 2/20 0.38
ADRA2B P18089 2/20 0.38
CHRM3 P20309 2/20 0.38
TACR2 P21452 2/20 0.38
DRD1 P21728 2/20 0.38
ACHE P22303 2/20 0.38
SLC6A2 P23975 2/20 0.38
TBXAS1 P24557 2/20 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
SCHEMBL11254753 0.91 FNTA (0.38) FNTAFNTBPGGT1BCYP2C9PGR
SCHEMBL11257609 0.90 FNTA (0.39) FNTAFNTBPGGT1BCYP2C9PGR
SCHEMBL11261952 0.89 FNTA (0.40) FNTAFNTBPGGT1BCYP2C9PGR
SCHEMBL11253398 0.88 ALDH1A1 (0.41) FNTAFNTBTBXAS1LMNACYP19A1
SCHEMBL11264736 0.87 MAPK1 (0.35) LMNACYP19A1MAPTALDH1A1ADRA2C
SCHEMBL11274130 0.86 FNTA (0.41) FNTAFNTBPGGT1BCYP2C9PGR
SCHEMBL11258901 0.86 CYP2A6 (0.43) CYP19A1
SCHEMBL11256372 0.85 HMOX1 (0.39) FNTAFNTBPGGT1BCYP2C9PGR
SCHEMBL11258353 0.83 POLB (0.41) CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL11272980 0.83 FNTA (0.39) FNTAFNTBPGGT1BCYP2C9PGR

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