SCHEMBL27771254

SCHEMBL27771254

Cc1cccc(COc2ccc(OC(C)C)cc2C(=O)Nc2ccccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SGMS2 Q8NHU3 1/20 0.56
▸ LRRK2 Q5S007 6/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MET P08581 1/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ GCK P35557 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PTGER1 P34995 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL27792371 0.86 ALDH1A1 (0.60) SGMS2LRRK2ALDH1A1LMNAMET
SCHEMBL27771292 0.80 SGMS2 (0.52) SGMS2LRRK2ALDH1A1LMNAMET
SCHEMBL27792413 0.76 NPC1 (0.49) LRRK2LMNANPC1RAB9AMEN1
SCHEMBL1647532 0.74 LRRK2 (0.78) SGMS2LRRK2ALDH1A1LMNAMET
SCHEMBL17551827 0.73 SGMS2 (1.00) SGMS2LRRK2ALDH1A1LMNAMET
SCHEMBL30322922 0.73 SGMS2 (1.00) SGMS2LRRK2ALDH1A1LMNAMET
SCHEMBL6930256 0.73 CXCR2 (0.58) SGMS2ALDH1A1NPC1RAB9AGCK
SCHEMBL29179302 0.72 FOLH1 (0.60) LRRK2ALDH1A1SMN1; SMN2PTGER1
SCHEMBL27584561 0.71 GCK (0.54) SGMS2ALDH1A1LMNAGCKSMN1; SMN2
SCHEMBL17551776 0.71 SGMS2 (0.78) SGMS2LRRK2

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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