SCHEMBL5323748

SCHEMBL5323748

COc1cc(C#N)c([N+](=O)[O-])cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
GRIA1 P42261 2/20 0.46
GRIA2 P42262 2/20 0.46
GRIA3 P42263 2/20 0.46
GRIA4 P48058 2/20 0.46
ALOX15 P16050 2/20 0.46
CYP1A2 P05177 2/20 0.46
GRM6 O15303 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
APEX1 P27695 1/20 0.45
BLM P54132 1/20 0.45
VCAM1 P19320 2/20 0.45
ALDH1A1 P00352 4/20 0.42
EGFR P00533 2/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.41
PRKDC P78527 1/20 0.41

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
SCHEMBL2839282 0.94 MAPT (0.46) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL2773208 0.88 MAPT (0.53) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL14993728 0.87 TDP1 (0.42) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL5291433 0.83 MAPT (0.54) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL5027796 0.83 EGFR (0.47) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL16664635 0.83 MAPT (0.45) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL11251378 0.81 ALDH1A1 (0.55) MAPTALOX15CYP1A2TDP1POLB
SCHEMBL17429736 0.81 VCAM1 (0.45) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL19295308 0.81 ALDH1A1 (0.45) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL11163249 0.80 ALDH1A1 (0.47) MAPTGRIA1GRIA2GRIA3GRIA4

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
WO-2007135417-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO disclosed