SCHEMBL11274130

SCHEMBL11274130

CC1CSC(CCn2ccnc2)(Cc2ccc(Cl)cc2Cl)SC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.41
FNTB P49356 5/20 0.41
CYP2C9 P11712 4/20 0.41
PGR P06401 2/20 0.41
CHRM2 P08172 2/20 0.41
CYP3A4 P08684 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
CYP2D6 P10635 2/20 0.41
CHRM1 P11229 2/20 0.41
ADRB3 P13945 2/20 0.41
IDO1 P14902 2/20 0.41
ADRA2B P18089 2/20 0.41
CHRM3 P20309 2/20 0.41
TACR2 P21452 2/20 0.41
DRD1 P21728 2/20 0.41
ACHE P22303 2/20 0.41
SLC6A2 P23975 2/20 0.41
TBXAS1 P24557 2/20 0.41
HTR2A P28223 2/20 0.41

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
SCHEMBL11261952 0.91 FNTA (0.40) FNTAFNTBCYP2C9PGRCHRM2
SCHEMBL11268945 0.89 ADRA2C (0.42) FNTAFNTBCYP2C9PGRCHRM2
SCHEMBL11258579 0.88 CYP2C9 (0.44) FNTAFNTBCYP2C9PGRCHRM2
SCHEMBL11252157 0.86 FNTA (0.38) FNTAFNTBCYP2C9PGRCHRM2
SCHEMBL11267629 0.86 CYP2C9 (0.43) FNTAFNTBCYP2C9PGRCHRM2
SCHEMBL11272980 0.85 FNTA (0.39) FNTAFNTBCYP2C9PGRCHRM2
SCHEMBL11257241 0.85 CYP2A6 (0.47) CYP19A1
SCHEMBL11263546 0.84 MAPT (0.39) FNTAFNTBCYP2C9PGRCHRM2
SCHEMBL11260891 0.83 HMOX1 (0.43) FNTAFNTBCYP2C9PGRCHRM2
SCHEMBL11253666 0.82 POLB (0.44) ALDH1A1KMT2A

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