SCHEMBL11085842

SCHEMBL11085842

O=C1CCS(=O)(=O)C(c2ccccc2Cl)c2cc(Cl)ccc2N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
TP53 P04637 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
CASP1 P29466 1/20 0.55
CYP2C19 P33261 1/20 0.55
RECQL P46063 1/20 0.55
SLC8B1 Q6J4K2 1/20 0.55
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.40
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 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
SCHEMBL11090465 0.88 MAPT (0.45) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL11079648 0.84 ALDH1A1 (0.50) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL11087922 0.77 TSHR (0.41) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL8117192 0.77 MAPT (0.60) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL11083785 0.75 CHRM1 (0.41) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL10929981 0.74 MAPT (0.77) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL869274 0.71 TP53 (1.00) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL31071906 0.71 TP53 (1.00) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL28355878 0.70 MAPT (0.56) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL5435436 0.69 MAPT (0.56) MAPTTP53CYP1A2CYP2C9ALOX15

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-4464300-A PSYCHOTROPIC, ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1984-08-07 US disclosed