SCHEMBL27771271

SCHEMBL27771271

Cc1csc(NC(=O)c2cc(OCc3cccc(F)c3)ccc2O)n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 10/20 0.59
▸ RAB9A P51151 5/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ RCE1 Q9Y256 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MAOB P27338 3/20 0.53
▸ MAOA P21397 1/20 0.53
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SCD O00767 1/20 0.45

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
SCHEMBL14757228 0.83 GCK (0.74) GCKRAB9ANPC1HPGDMEN1
SCHEMBL27771238 0.79 MAOB (0.54) RAB9ANPC1ALDH1A1KDM4ETP53
SCHEMBL27792358 0.79 NPC1 (0.59) RAB9ANPC1ALDH1A1TP53GAA
SCHEMBL14757232 0.77 NPC1 (0.78) GCKRAB9ANPC1ALDH1A1HPGD
SCHEMBL12974336 0.77 MAOB (0.47) GCKRAB9ANPC1ALDH1A1HPGD
SCHEMBL2698147 0.76 MAOB (0.46) GCKRAB9ANPC1ALDH1A1HPGD
SCHEMBL28781721 0.76 NPC1 (0.71) GCKRAB9ANPC1ALDH1A1HPGD
SCHEMBL14757305 0.75 GCK (0.73) GCKRAB9ANPC1HPGDMEN1
SCHEMBL14757279 0.75 GCK (0.71) GCKRAB9ANPC1HPGDMEN1
SCHEMBL14757302 0.74 GCK (0.71) GCKRAB9ANPC1HPGDMEN1

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-101648919-A 3-substituted salicylamide compound, preparation method, medicinal composition and application thereof INST MATERIA MEDICA CAMS 2010-02-17 — — CN claimed
CN-101648919-A 3-substituted salicylamide compound, preparation method, medicinal composition and application thereof INST MATERIA MEDICA CAMS 2010-02-17 — — CN disclosed
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