SCHEMBL27792371

SCHEMBL27792371

CC(C)Oc1ccc(OCc2cccc([N+](=O)[O-])c2)c(C(=O)Nc2ccccn2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.60
▸ LMNA P02545 4/20 0.60
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ SGMS2 Q8NHU3 1/20 0.52
▸ TP53 P04637 1/20 0.49
▸ LRRK2 Q5S007 1/20 0.48
▸ MAPT P10636 2/20 0.46
▸ MAOB P27338 3/20 0.46
▸ MAOA P21397 1/20 0.46
▸ PPIA P62937 1/20 0.45
▸ MET P08581 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ AKR1C3 P42330 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 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
SCHEMBL27771254 0.86 SGMS2 (0.56) ALDH1A1LMNAMEN1KMT2ASGMS2
SCHEMBL28784924 0.83 ALDH1A1 (0.53) ALDH1A1LMNAMEN1KMT2ASGMS2
SCHEMBL27771256 0.79 MAPT (0.50) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL27771292 0.76 SGMS2 (0.52) ALDH1A1LMNAMEN1KMT2ASGMS2
SCHEMBL27792405 0.76 KMT2A (0.47) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL27792367 0.75 MEN1 (0.60) ALDH1A1LMNAMEN1KMT2ALRRK2
SCHEMBL17551780 0.72 MEN1 (0.79) ALDH1A1MEN1KMT2ASGMS2LRRK2
SCHEMBL27792404 0.71 MEN1 (0.70) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL15855145 0.71 ALDH1A1 (0.58) ALDH1A1LMNAMEN1KMT2ATP53
SCHEMBL1647532 0.71 LRRK2 (0.78) ALDH1A1LMNASGMS2LRRK2MET

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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