SCHEMBL20514985

SCHEMBL20514985

COC(=O)[C@H](CC(C)C)NC(=O)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 1/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PSMB1 P20618 1/20 0.47
PSMB5 P28074 1/20 0.47
PSMB2 P49721 1/20 0.47
CTSL P07711 1/20 0.47
BIRC2 Q13490 1/20 0.47

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
SCHEMBL20514983 1.00 SMN1; SMN2 (0.54) SMN1; SMN2HTTL3MBTL1ALDH1A1CYP2D6
SCHEMBL5966879 0.94 SMN1; SMN2 (0.48) SMN1; SMN2HTTL3MBTL1ALDH1A1CYP2D6
SCHEMBL7440531 0.88 REN (0.45) SMN1; SMN2HTTL3MBTL1ALDH1A1PSMB1
SCHEMBL5967356 0.88 SMN1; SMN2 (0.58) SMN1; SMN2HTTL3MBTL1ALDH1A1CYP2D6
SCHEMBL20515051 0.88 SMN1; SMN2 (0.58) SMN1; SMN2HTTL3MBTL1ALDH1A1CYP2D6
SCHEMBL7361914 0.87 HTT (0.43) SMN1; SMN2HTTL3MBTL1PSMB1PSMB5
SCHEMBL20514968 0.86 SMN1; SMN2 (0.60) SMN1; SMN2HTTL3MBTL1ALDH1A1CYP2C9
SCHEMBL20514969 0.86 SMN1; SMN2 (0.60) SMN1; SMN2HTTL3MBTL1ALDH1A1CYP2C9
SCHEMBL11627381 0.83 SMN1; SMN2 (0.62) SMN1; SMN2HTTL3MBTL1ALDH1A1CYP2D6
SCHEMBL6136373 0.83 SMN1; SMN2 (0.54) SMN1; SMN2HTTL3MBTL1ALDH1A1CYP2D6

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
EP-3381898-A1 SYMMETRICAL TRIS-ARYL-AMIDE DERIVATIVES AND THEIR USE AS ANTI-HEPARANASE Leadiant Biosciences SA (CH) 2018-10-03 EP disclosed