SCHEMBL3370880

SCHEMBL3370880

NC(=O)n1ccc(-c2ccc(Oc3ccccc3[N+](=O)[O-])cc2)n1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 6/20 0.69
SCN9A Q15858 3/20 0.54
LCK P06239 1/20 0.43
KDR P35968 1/20 0.43
TEK Q02763 1/20 0.43
F10 P00742 1/20 0.43
LTA4H P09960 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
TNK2 Q07912 1/20 0.42
IKBKB O14920 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 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
SCHEMBL3365086 0.82 SCN4A (1.00) SCN4ASCN9AMAPT
SCHEMBL1384820 0.80 SCN4A (1.00) SCN4ASCN9A
SCHEMBL13168517 0.78 SCN4A (0.74) SCN4ASCN9AL3MBTL1MAPTALDH1A1
SCHEMBL3370093 0.78 SCN4A (0.67) SCN4ASCN9AKDRTEKGAA
SCHEMBL1384902 0.76 SCN4A (1.00) SCN4ASCN9A
SCHEMBL3367406 0.75 SCN4A (0.79) SCN4ASCN9AMAPTALDH1A1
SCHEMBL1386035 0.74 SCN4A (1.00) SCN4ASCN9A
SCHEMBL13168622 0.74 SCN4A (1.00) SCN4ASCN9A
SCHEMBL3135653 0.74 IKBKB (0.55) SCN9ALCKKDRTEKLTA4H
SCHEMBL13168520 0.74 SCN4A (0.77) SCN4ASCN9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266960-B1 Aryl-substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles as anticonvulsants EURO CELTIQUE SA (LU) 2014-01-22 EP disclosed
EP-2266960-A2 Aryl-substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles as anticonvulsants EURO-CELTIQUE S.A. (LU) 2010-12-29 EP disclosed
EP-1173169-B1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-05-12 EP disclosed
US-6737418-B2 CENTRAL NERVOUS SYSTEM DISORDERS; ANTICONVULSANTS EURO-CELTIQUE S.A. (LU) 2004-05-18 US disclosed
US-6414011-B1 CENTRAL NERVOUS SYSTEM DISORDERS EURO-CELTIQUE S.A. (LU) 2002-07-02 US disclosed
CN-1353605-A Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and use thereof EURO CELTIQUE SA (LU) 2002-06-12 CN disclosed