SCHEMBL7142884

SCHEMBL7142884

N#Cc1ccc(NC(C(=O)NCc2ccccc2)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
F7 P08709 3/20 0.43
F3 P13726 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
F2 P00734 2/20 0.42
F10 P00742 2/20 0.42
PRSS1 P07477 2/20 0.42
GRM8 O00222 1/20 0.42
GRM4 Q14833 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL7142888 1.00 SMN1; SMN2 (0.46) SMN1; SMN2HTTL3MBTL1ALDH1A1MEN1
SCHEMBL5883020 0.84 HTT (0.43) SMN1; SMN2HTTL3MBTL1ALDH1A1MEN1
SCHEMBL7144030 0.84 F7 (0.51) SMN1; SMN2HTTALDH1A1F7F3
SCHEMBL7144037 0.84 F7 (0.51) SMN1; SMN2HTTALDH1A1F7F3
SCHEMBL7147278 0.83 F2 (0.61) SMN1; SMN2HTTL3MBTL1ALDH1A1MEN1
SCHEMBL7147282 0.83 F2 (0.61) SMN1; SMN2HTTL3MBTL1ALDH1A1MEN1
SCHEMBL7149677 0.81 F7 (0.54) L3MBTL1ALDH1A1MEN1KMT2AF7
SCHEMBL7149660 0.81 F7 (0.54) L3MBTL1ALDH1A1MEN1KMT2AF7
Acetic Acid SCHEMBL8126253 0.81 F2 (0.61) SMN1; SMN2HTTL3MBTL1ALDH1A1MEN1
SCHEMBL7140408 0.80 F2 (0.64) SMN1; SMN2HTTL3MBTL1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921116-B1 N-(4-carbamimido-phenyl)-glycine amide derivatives HOFFMANN LA ROCHE (CH) 2003-06-18 EP disclosed
US-6140353-A USED AS MEDICAMENTS FOR THE TREATMENT AND/OR PREVENTION OF THROMBOSES, APOPLEXY, CARDIAC INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS OR AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-10-31 US disclosed
EP-0921116-A1 N-(4-carbamimido-phenyl)-glycine amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 EP disclosed