SCHEMBL8076008

SCHEMBL8076008

Nc1cc(-n2ccnc2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.50
GRIA2 P42262 2/20 0.50
GRIA3 P42263 2/20 0.50
GRIA4 P48058 2/20 0.50
GRIK1 P39086 1/20 0.50
GRIK2 Q13002 1/20 0.50
GRIK3 Q13003 1/20 0.50
GRIK4 Q16099 1/20 0.50
GRIK5 Q16478 1/20 0.50
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL8145134 0.99 GRIA1 (0.49) GRIA1GRIA2GRIA3GRIA4GRIK1
Hydrochloric Acid SCHEMBL8144225 0.87 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8040637 0.83 GRIK1 (0.56) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL29495238 0.83 MAPT (0.55) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL5796819 0.81 MAPT (0.47) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8139453 0.81 GRIA1 (0.50) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8059739 0.80 IDO1 (0.51) MAPTMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL8129450 0.80 GRIA1 (0.47) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8144102 0.80 GRIA1 (0.47) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8144455 0.79 MAPT (0.47) GRIA1GRIA2GRIA3GRIA4GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6051570-A ANTIULCER AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-04-18 US disclosed