SCHEMBL6930245

SCHEMBL6930245

CS(=O)(=O)OCc1cn2ccsc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ TP53 P04637 5/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ HTT P42858 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ GAA P10253 2/20 0.46
▸ TSHR P16473 3/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAPK10 P53779 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HSD17B10 Q99714 2/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL12535906 0.74 ALDH1A1 (0.53) POLBTP53SMN1; SMN2HTTL3MBTL1
SCHEMBL9965992 0.71 TP53 (0.51) POLBTP53SMN1; SMN2HTTL3MBTL1
SCHEMBL9570044 0.71 ALDH1A1 (0.53) POLBTP53SMN1; SMN2HTTL3MBTL1
SCHEMBL16136315 0.71 TP53 (0.58) TP53SMN1; SMN2HTTL3MBTL1TSHR
SCHEMBL12338477 0.71 ALDH1A1 (0.53) TP53SMN1; SMN2HTTL3MBTL1TSHR
SCHEMBL4764484 0.71 NPC1 (0.56) POLBTP53SMN1; SMN2HTTL3MBTL1
SCHEMBL12531819 0.71 SMN1; SMN2 (0.53) POLBTP53SMN1; SMN2HTTL3MBTL1
SCHEMBL23571793 0.70 NPC1 (0.60) POLBTP53SMN1; SMN2HTTL3MBTL1
SCHEMBL14131227 0.70 SMN1; SMN2 (0.49) POLBTP53SMN1; SMN2HTTL3MBTL1
SCHEMBL12631459 0.70 SMN1; SMN2 (0.52) POLBTP53SMN1; SMN2HTTL3MBTL1

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
WO-2011012622-A1 BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF GLYTL MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-02-03 — — WO disclosed
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