SCHEMBL5197734

SCHEMBL5197734

CN(C(=O)c1ccccc1Cl)c1nc(-c2ccccc2)sc1OC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TRPM8 Q7Z2W7 2/20 0.41
▸ S1PR1 P21453 2/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ SMO Q99835 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ABCB1 P08183 1/20 0.37

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
SCHEMBL5195687 0.89 CYP1A2 (0.47) POLBNPC1RAB9AL3MBTL1TRPM8
SCHEMBL5196165 0.84 MAPT (0.45) POLBNPC1RAB9AL3MBTL1TRPM8
SCHEMBL5193285 0.83 POLB (0.51) POLBNPC1RAB9AL3MBTL1TRPM8
SCHEMBL5196161 0.80 RAB9A (0.46) POLBNPC1RAB9AL3MBTL1TRPM8
SCHEMBL5193749 0.76 CYP3A4 (0.50) NPC1RAB9ATRPM8KDM4EALDH1A1
SCHEMBL5195341 0.76 CYP1A2 (0.44) NPC1RAB9ATRPM8ALOX5KDM4E
SCHEMBL3809712 0.75 POLB (0.50) POLBNPC1RAB9AL3MBTL1KDM4E
SCHEMBL5196998 0.73 CYP1A2 (0.48) POLBNPC1RAB9AL3MBTL1TRPM8
SCHEMBL5193874 0.70 CYP1A2 (0.43) POLBNPC1RAB9AL3MBTL1TRPM8
SCHEMBL13685249 0.70 SMN1; SMN2 (0.61) NPC1RAB9AL3MBTL1TRPM8ALOX5

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
EP-1321463-B1 Thiazole derivatives and their use for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC (CA) 2007-08-08 — — EP claimed
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