SCHEMBL7147310

SCHEMBL7147310

COc1ccc([N+](=O)[O-])c([C@H](Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
APEX1 P27695 1/20 0.40
GAA P10253 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
MAPT P10636 4/20 0.40
F2 P00734 3/20 0.40
PRSS1 P07477 3/20 0.40
F7 P08709 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
F10 P00742 2/20 0.40
RAB9A P51151 1/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39

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
SCHEMBL7147306 1.00 HPGD (0.43) HPGDALDH1A1LMNAAPEX1GAA
SCHEMBL7146243 0.89 F2 (0.46) ALDH1A1LMNASLC1A3SLC1A2MAPT
SCHEMBL7146245 0.89 F2 (0.46) ALDH1A1LMNASLC1A3SLC1A2MAPT
SCHEMBL7144961 0.86 ADRB3 (0.43) HPGDALDH1A1SLC1A3SLC1A2MAPT
SCHEMBL7144966 0.86 ADRB3 (0.43) HPGDALDH1A1SLC1A3SLC1A2MAPT
SCHEMBL7140854 0.85 F7 (0.43) HPGDALDH1A1SLC1A3SLC1A2MAPT
SCHEMBL7140860 0.85 F7 (0.43) HPGDALDH1A1SLC1A3SLC1A2MAPT
SCHEMBL27489903 0.84 F2 (0.44) HPGDALDH1A1LMNAGAAMAPT
SCHEMBL7142253 0.84 F2 (0.54) HPGDALDH1A1LMNAMAPTF2
SCHEMBL7150831 0.82 AKR1B1 (0.46) ALDH1A1LMNAGAASLC1A3SLC1A2

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