SCHEMBL27771238

SCHEMBL27771238

Cc1ccc(NC(=O)c2cc(OCc3cccc(F)c3)ccc2O)nc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.54
▸ MAOA P21397 2/20 0.54
▸ NPC1 O15118 5/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TP53 P04637 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MITF O75030 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ NR4A2 P43354 2/20 0.45
▸ MRGPRX4 Q96LA9 1/20 0.44
▸ SGMS2 Q8NHU3 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
SCHEMBL27792358 0.84 NPC1 (0.59) MAOBMAOANPC1RAB9ATP53
SCHEMBL27771271 0.79 GCK (0.59) MAOBMAOANPC1RAB9AL3MBTL1
SCHEMBL12398726 0.78 CXCR2 (0.67) NPC1RAB9AL3MBTL1KDM4EALDH1A1
SCHEMBL27792363 0.76 RAB9A (0.57) NPC1RAB9ATP53GAAKDM4E
SCHEMBL27771260 0.75 FADS1 (0.52) MAOBMAOANPC1RAB9AKDM4E
SCHEMBL27771246 0.73 FADS1 (0.57) MAOBMAOANPC1RAB9ATP53
SCHEMBL27792361 0.73 KCNMA1 (0.66) MAOBMAOANPC1RAB9AGAA
SCHEMBL14758512 0.72 RAB9A (0.71) NPC1RAB9AL3MBTL1TP53GAA
SCHEMBL27771262 0.71 RAB9A (0.45) NPC1RAB9AL3MBTL1TP53GAA
SCHEMBL27771290 0.71 NPC1 (0.64) NPC1RAB9AL3MBTL1TP53GAA

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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