SCHEMBL7149276

SCHEMBL7149276

COc1ccc(NC(=O)c2ccccc2)c(C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.56
F10 P00742 12/20 0.56
PRSS1 P07477 11/20 0.56
F7 P08709 11/20 0.56
F3 P13726 4/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
HDAC1 Q13547 2/20 0.44
SCD O00767 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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
Acetic Acid SCHEMBL8128379 0.98 F2 (0.55) F2F10PRSS1F7F3
SCHEMBL7149769 0.91 F2 (0.46) F2F10PRSS1F7HDAC1
SCHEMBL7151955 0.89 F2 (0.64) F2F10PRSS1F7F3
Acetic Acid SCHEMBL8128534 0.87 F2 (0.62) F2F10PRSS1F7F3
SCHEMBL7142566 0.86 F2 (0.60) F2F10PRSS1F7F3
SCHEMBL7142561 0.86 F2 (0.60) F2F10PRSS1F7F3
Acetic Acid SCHEMBL8120279 0.84 F2 (0.59) F2F10PRSS1F7F3
Hydrochloric Acid SCHEMBL7145769 0.84 F2 (0.62) F2F10PRSS1F7F3
Hydrochloric Acid SCHEMBL8122558 0.84 F2 (0.62) F2F10PRSS1F7F3
Hydrochloric Acid SCHEMBL8122550 0.84 F2 (0.62) F2F10PRSS1F7F3

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