SCHEMBL8716534

SCHEMBL8716534

N#Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NC2CCCN(C(=N)N)C2)C(=O)NC2CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.45
HPN P05981 2/20 0.40
ST14 Q9Y5Y6 2/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
MMP14 P50281 1/20 0.40
EPHX2 P34913 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
SCHEMBL8719658 0.89 F2 (0.46) F2HPNST14MMP2MMP9
SCHEMBL8719964 0.89 F2 (0.59) F2
SCHEMBL7294009 0.85 F2 (0.41) F2HPNST14MMP2MMP9
SCHEMBL8716561 0.76 F2 (0.61) F2
SCHEMBL8717330 0.76 F2 (0.61) F2
SCHEMBL7299062 0.74 F2 (0.43) F2HPNST14MMP2MMP9
SCHEMBL7294015 0.73 MMP2 (0.39) F2HPNST14MMP2MMP9
SCHEMBL8947654 0.73 F2 (0.55) F2
SCHEMBL8716988 0.72 F2 (0.58) F2
SCHEMBL7303156 0.70 F2 (0.38) F2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763604-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
US-5677448-A CHEMICAL INTERMEDIATES FOR MAKING ANTAGONIST OF THROMBIN, TREATING THROMBOSIS, STROKE, INFLAMMATION, ARTERIOSCLEROSIS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-10-14 US disclosed