SCHEMBL6987072

SCHEMBL6987072

O=C(NC(CCc1ccc([N+](=O)[O-])cn1)C(=O)O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.52
CTSL P07711 12/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
CTSB P07858 6/20 0.48
GSTP1 P09211 1/20 0.47
GSTM2 P28161 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGAV P06756 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
SCHEMBL6544456 1.00 TGM2 (0.52) TGM2CTSLHDAC1HDAC2CTSB
SCHEMBL2861817 0.95 TGM2 (0.55) TGM2CTSLHDAC1HDAC2CTSB
SCHEMBL2861823 0.95 TGM2 (0.55) TGM2CTSLHDAC1HDAC2CTSB
SCHEMBL11100666 0.80 TGM2 (0.60) TGM2CTSLHDAC1HDAC2CTSB
SCHEMBL8713258 0.79 CTSL (0.65) TGM2CTSLCTSBITGB3
SCHEMBL951558 0.79 CTSL (0.65) TGM2CTSLCTSBITGB3
SCHEMBL11144067 0.79 CTSL (0.65) TGM2CTSLCTSBITGB3
SCHEMBL11138908 0.79 CTSL (0.65) TGM2CTSLCTSBITGB3
SCHEMBL2487005 0.78 CTSL (0.65) CTSLCTSB
SCHEMBL1796250 0.78 CTSL (0.65) CTSLCTSB

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
EP-1268469-A1 N-(HETEROCYCLYL)BENZENE OR PYRIDINE SULPHONAMIDES AS ANTITHROMBOTIC AGENTS AND ANTICOAGULANTS SANOFI-SYNTHELABO (FR) 2003-01-02 EP disclosed
WO-2001070736-A1 N-(HETEROCYCLYL)BENZENE OR PYRIDINE SULPHONAMIDES AS ANTITHROMBOTIC AGENTS AND ANTICOAGULANTS SANOFI-SYNTHELABO (FR) 2001-09-27 WO disclosed