SCHEMBL7146102

SCHEMBL7146102

COc1cc(N)c(C(Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 9/20 0.51
F2 P00734 7/20 0.51
PRSS1 P07477 6/20 0.51
F10 P00742 6/20 0.50
HIF1A Q16665 2/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
MAPT P10636 1/20 0.42
RPS27 P42677 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
F3 P13726 4/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
F11 P03951 1/20 0.40
CTSD P07339 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7146106 1.00 F7 (0.51) F7F2PRSS1F10HIF1A
SCHEMBL7144188 0.95 F7 (0.58) F7F2PRSS1F10HIF1A
SCHEMBL7142631 0.89 F2 (0.49) F7F2PRSS1F10HIF1A
SCHEMBL7142637 0.89 F2 (0.49) F7F2PRSS1F10HIF1A
SCHEMBL7147502 0.89 F2 (0.49) F7F2PRSS1F10HIF1A
SCHEMBL7147512 0.89 F2 (0.49) F7F2PRSS1F10HIF1A
SCHEMBL7140854 0.88 F7 (0.43) F7F2PRSS1F10HIF1A
SCHEMBL7140860 0.88 F7 (0.43) F7F2PRSS1F10HIF1A
SCHEMBL7146130 0.87 F2 (0.57) F7F2PRSS1F10HIF1A
SCHEMBL7146126 0.87 F2 (0.57) F7F2PRSS1F10HIF1A

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