SCHEMBL27792367

SCHEMBL27792367

Cc1cccc(COc2ccc(OCc3cccc([N+](=O)[O-])c3)c(C(=O)Nc3ccc(Cl)cc3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.60
▸ KMT2A Q03164 9/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ MAPT P10636 6/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MET P08581 1/20 0.49
▸ AKR1C3 P42330 1/20 0.49
▸ MAOB P27338 2/20 0.48
▸ MAOA P21397 1/20 0.48
▸ LRRK2 Q5S007 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ AKR1B1 P15121 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ GAA P10253 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
SCHEMBL27771246 0.81 FADS1 (0.57) MEN1KMT2AALDH1A1MAPTMAOB
SCHEMBL12173161 0.77 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL27792404 0.77 MEN1 (0.70) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL27792371 0.75 ALDH1A1 (0.60) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL27936544 0.75 MAPT (0.60) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL27863133 0.75 MAOB (0.67) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL7921889 0.74 MAOB (0.68) MEN1KMT2AMAOBMAOA
SCHEMBL24696857 0.73 MAOB (0.62) MEN1KMT2AALDH1A1MAPTMAOB
SCHEMBL27792405 0.72 KMT2A (0.47) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL12173128 0.72 MAPT (0.55) MEN1KMT2AALDH1A1MAPTLMNA

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
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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