SCHEMBL8716913

SCHEMBL8716913

CN(Cc1ccccc1)C(=O)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 2/20 0.53
ALDH1A1 P00352 2/20 0.53
F2 P00734 3/20 0.52
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
NPY5R Q15761 1/20 0.47
MMP2 P08253 4/20 0.46
MMP9 P14780 3/20 0.46
ADAMTS4 O75173 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL8716908 0.85 F2 (0.54) MEN1KMT2APOLBALDH1A1F2
SCHEMBL8388668 0.81 SLC1A3 (0.60) POLBALDH1A1F2SLC1A3SLC1A2
SCHEMBL8388664 0.81 SLC1A3 (0.60) POLBALDH1A1F2SLC1A3SLC1A2
SCHEMBL7300504 0.80 MMP7 (0.64) POLBF2SLC1A3SLC1A2SLC1A1
SCHEMBL7290941 0.80 MMP2 (0.71) POLBALDH1A1F2SLC1A3SLC1A2
SCHEMBL3310154 0.80 MMP2 (0.71) POLBALDH1A1F2SLC1A3SLC1A2
SCHEMBL5189194 0.80 MMP2 (0.71) POLBALDH1A1F2SLC1A3SLC1A2
SCHEMBL31086814 0.80 MMP2 (0.71) POLBALDH1A1F2SLC1A3SLC1A2
SCHEMBL7294588 0.79 F2 (0.48) MEN1KMT2APOLBALDH1A1F2
SCHEMBL26606049 0.79 SLC1A3 (0.61) POLBALDH1A1F2SLC1A3SLC1A2

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 4 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
US-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US disclosed
US-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed