SCHEMBL11263546

SCHEMBL11263546

CCC1CSC(CCCn2ccnc2)(Cc2ccc(Cl)cc2Cl)SC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 1/20 0.39
FNTA P49354 3/20 0.38
FNTB P49356 3/20 0.38
PGGT1B P53609 1/20 0.38
CYP2C9 P11712 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
GRM6 O15303 1/20 0.38
NR1I2 O75469 1/20 0.38
EGFR P00533 1/20 0.38
NR3C1 P04150 1/20 0.38
ERBB2 P04626 1/20 0.38
CYP17A1 P05093 1/20 0.38
FYN P06241 1/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 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
SCHEMBL11269138 0.88 TSHR (0.42) LMNACYP19A1
SCHEMBL11269111 0.88 ADRA2C (0.41) LMNAFNTAFNTBPGGT1BCYP2C9
SCHEMBL11274130 0.84 FNTA (0.41) MAPTLMNAKMT2AFNTAFNTB
SCHEMBL11252157 0.83 FNTA (0.38) MAPTLMNAKMT2AFNTAFNTB
SCHEMBL11251801 0.82 HMOX1 (0.40) LMNAFNTAFNTBPGGT1BCYP2C9
SCHEMBL11261952 0.81 FNTA (0.40) MAPTLMNAKMT2AFNTAFNTB
SCHEMBL11270007 0.81 MAPK1 (0.36) MAPTLMNAKMT2ACYP19A1
SCHEMBL11258579 0.80 CYP2C9 (0.44) MAPTLMNAKMT2AFNTAFNTB
SCHEMBL11266073 0.80 CYP2A6 (0.45) CYP19A1
SCHEMBL11273188 0.80 QPCT (0.43) LMNACYP19A1TBXAS1SMN1; SMN2QPCT

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