SCHEMBL9854815

SCHEMBL9854815

Cc1c(N)ccc(C(S)S)c1N

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
TSHR P16473 2/20 0.39
PIK3CA P42336 1/20 0.39
TDP1 Q9NUW8 3/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.32
POLB P06746 1/20 0.30
CD44 P16070 1/20 0.30

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
SCHEMBL117623 0.79 CYP3A4 (0.40) CYP3A4TSHRPIK3CATDP1TP53
SCHEMBL29870911 0.72 CYP3A4 (0.53) CYP3A4TSHRPIK3CATDP1TP53
SCHEMBL2934547 0.72 CYP3A4 (0.53) CYP3A4TSHRPIK3CATDP1TP53
SCHEMBL3427600 0.71 CYP3A4 (0.33) CYP3A4TSHRPIK3CATDP1TP53
SCHEMBL10492587 0.70 TYR (0.43) CYP3A4TSHRPIK3CAALDH1A1
SCHEMBL8602766 0.69 CYP3A4 (0.43) CYP3A4TSHRPIK3CATDP1TP53
SCHEMBL29384787 0.68 CYP3A4 (0.62) CYP3A4TSHRPIK3CATDP1TP53
SCHEMBL33944 0.68 CYP3A4 (0.62) CYP3A4TSHRPIK3CATDP1TP53
SCHEMBL23668109 0.67 POLB (0.62) CYP3A4TSHRPIK3CATDP1TP53
SCHEMBL29568597 0.67 POLB (0.62) CYP3A4TSHRPIK3CATDP1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101648421-B Method of manufacturing plastic lens, gasket for molding plastic lens, casting mold for molding plastic lens, casting jig for plastic lens starting material liquid, holding member for plastic lens cas HOYA CORPORATION (JP) 2014-10-15 CN disclosed
EP-0421393-A2 Resin, compositions, shaped articles, and methods for manufacture Takeda Chemical Industries, Ltd. (JP) 1991-04-10 EP disclosed