SCHEMBL7001748

SCHEMBL7001748

CC1=C(N)Nc2cc(-n3ccnc3)c([N+](=O)[O-])cc2O1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.49
GRIA1 P42261 1/20 0.49
GRIA2 P42262 1/20 0.49
GRIA3 P42263 1/20 0.49
GRIA4 P48058 1/20 0.49
GRIK2 Q13002 1/20 0.49
GRIK3 Q13003 1/20 0.49
GRIK4 Q16099 1/20 0.49
GRIK5 Q16478 1/20 0.49

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
SCHEMBL8129129 0.92 GRIK1 (0.43) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL6993387 0.76 GRIK1 (0.55) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7001818 0.75 GRIK1 (0.51) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7002334 0.74 ALDH1A1 (0.41)
SCHEMBL7000226 0.72 CHEK1 (0.39)
SCHEMBL10680326 0.71 GRIA1 (0.67) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7001755 0.70 GRIK1 (0.49) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8139453 0.69 GRIA1 (0.50) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8040637 0.69 GRIK1 (0.56) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL995544 0.68 GRIK1 (0.56) GRIK1GRIA1GRIA2GRIA3GRIA4

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-1015437-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 2003-12-03 EP disclosed
US-6365736-B1 TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed