SCHEMBL9199227

SCHEMBL9199227

CN(C(=O)C(C#N)C(=O)C1CC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 7/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
PHLPP2 Q6ZVD8 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 3/20 0.35
ATM Q13315 2/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL8201118 0.82 CHRNB2 (0.39) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL1018016 0.76 NAMPT (0.50) NAMPTALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL9198607 0.75 MAPT (0.36) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL11002701 0.69 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL9509362 0.68 MAPT (0.50) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL2103568 0.67 MAPK1 (0.55) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL1532324 0.67 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL1706262 0.67 MAPT (0.53) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL3630547 0.67 FASN (0.52) NAMPTALDH1A1SMN1; SMN2MAPK1TDP1
SCHEMBL15659596 0.66 TSHR (0.53) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0484223-B1 3-Cycloalkylpropanamides, their tautomers and salts, process for their preparation, their use as medicaments and compositions containing them ROUSSEL UCLAF (FR) 1995-03-08 EP disclosed
US-5384423-A Intermediates for antiinflammatory agents ROUSSEL-UCLAF (FR) 1995-01-24 US disclosed
US-5240960-A Antiinflammatory agents ROUSSEL UCLAF (FR) 1993-08-31 US disclosed
EP-0484223-A2 3-Cycloalkylpropanamides, their tautomers and salts, process for their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1992-05-06 EP disclosed