SCHEMBL7140419

SCHEMBL7140419

Cc1cc(C)c(OCC(=O)O)c(C(Nc2ccc(C(=N)NO)cc2)C(=O)NCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.48
PRSS1 P07477 7/20 0.48
F7 P08709 7/20 0.48
F10 P00742 6/20 0.48
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
F3 P13726 3/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
HPGD P15428 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL7145086 0.90 F2 (0.59) F2PRSS1F7F10F3
Acetic Acid SCHEMBL8120257 0.89 F2 (0.58) F2PRSS1F7F10F3
SCHEMBL5883495 0.86 F10 (0.42) F2PRSS1F7F10SMN1; SMN2
SCHEMBL8120592 0.84 F7 (0.42) F2PRSS1F7F10KMT2A
SCHEMBL7150630 0.82 F2 (0.55) F2PRSS1F7F10KMT2A
SCHEMBL8120265 0.82 F2 (0.55) F2PRSS1F7F10F3
SCHEMBL7148118 0.80 F2 (0.51) F2PRSS1F7F10ALDH1A1
SCHEMBL8127685 0.76 F2 (0.54) F2PRSS1F7F10SMN1; SMN2
SCHEMBL8122404 0.75 F2 (0.54) F2PRSS1F7F10SMN1; SMN2
SCHEMBL7148516 0.75 F7 (0.61) F2PRSS1F7F10KMT2A

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