SCHEMBL7146243

SCHEMBL7146243

COc1cc(C(Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)c([N+](=O)[O-])cc1OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.46
PRSS1 P07477 4/20 0.46
F7 P08709 4/20 0.46
F10 P00742 3/20 0.46
HIF1A Q16665 2/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PKM P14618 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
CTSD P07339 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 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
SCHEMBL7146245 1.00 F2 (0.46) F2PRSS1F7F10HIF1A
SCHEMBL7142253 0.95 F2 (0.54) F2PRSS1F7F10MAPT
SCHEMBL7147306 0.89 HPGD (0.43) F2PRSS1F7F10SLC1A3
SCHEMBL7147310 0.89 HPGD (0.43) F2PRSS1F7F10SLC1A3
SCHEMBL7142637 0.86 F2 (0.49) F2PRSS1F7F10HIF1A
SCHEMBL7142631 0.86 F2 (0.49) F2PRSS1F7F10HIF1A
SCHEMBL27489903 0.85 F2 (0.44) F2PRSS1F7F10MAPT
SCHEMBL7147502 0.85 F2 (0.49) F2PRSS1F7F10HIF1A
SCHEMBL7146106 0.85 F7 (0.51) F2PRSS1F7F10HIF1A
SCHEMBL7146102 0.85 F7 (0.51) F2PRSS1F7F10HIF1A

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