SCHEMBL9566017

SCHEMBL9566017

CCN(CC)C(=O)CNC(=O)c1ccccc1N

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.61
KDM4E B2RXH2 9/20 0.61
HPGD P15428 7/20 0.61
HSD17B10 Q99714 5/20 0.50
USP2 O75604 1/20 0.48
RCE1 Q9Y256 1/20 0.48
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CFTR P13569 1/20 0.44
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
NSD2 O96028 1/20 0.41
LMNA P02545 1/20 0.41
HCRTR1 O43613 1/20 0.41

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
SCHEMBL1202541 0.79 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL10677544 0.78 HSD17B10 (0.53) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL14219778 0.78 KMT2A (0.53) ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL196585 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL11374040 0.76 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL2061977 0.76 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL28160698 0.76 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL4062229 0.76 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL6371982 0.75 KDM4E (0.64) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL31267447 0.75 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHSD17B10USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1081438-A Imdazole derivatives and preparation method thereof and the application on therapeutics FOURNIER IND & SANTE (FR) 1994-02-02 CN disclosed
EP-0564356-A1 4-phenylaminomethylimidazole derivatives, process for their preparation, angiotensin II receptor antagonists and their application in therapy FOURNIER INDUSTRIE ET SANTE (FR) 1993-10-06 EP disclosed