SCHEMBL5196165

SCHEMBL5196165

CN(C(=O)c1ccc(Cl)cc1)c1nc(-c2ccccc2)sc1OC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ CYP1A2 P05177 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ GRM1 Q13255 1/20 0.41
▸ PTGDR2 Q9Y5Y4 2/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ LMNA P02545 5/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ NPY1R P25929 2/20 0.39
▸ NPY2R P49146 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
SCHEMBL5196161 0.89 RAB9A (0.46) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5195687 0.84 CYP1A2 (0.47) MAPTNPC1RAB9AHPGDCYP1A2
SCHEMBL5197734 0.84 POLB (0.49) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5196876 0.83 SMN1; SMN2 (0.53) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3811484 0.75 ACLY (0.43) MAPTGRM1LMNAL3MBTL1TP53
SCHEMBL5196996 0.75 ADORA3 (0.51) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5194116 0.75 USP2 (0.40) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5195341 0.73 CYP1A2 (0.44) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5193749 0.73 CYP3A4 (0.50) ALDH1A1NPC1RAB9AHPGDCYP1A2
SCHEMBL5196153 0.72 SMN1; SMN2 (0.55) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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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