SCHEMBL9475252

SCHEMBL9475252

CCCCCCCCCCCCCCCCCCN(C)c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.64
MAPK13 O15264 7/20 0.51
MAPK12 P53778 7/20 0.51
MAPK11 Q15759 7/20 0.51
MAPK14 Q16539 7/20 0.51
GCGR P47871 2/20 0.51
RAF1 P04049 4/20 0.50
MAPK9 P45984 1/20 0.49
MAPT P10636 4/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GLA P06280 2/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 3/20 0.46
BRAF P15056 2/20 0.46
MEN1 O00255 1/20 0.46
ALOX5 P09917 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
SCHEMBL1071183 0.79 NOX1 (1.00) NOX1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11054293 0.78 NOX1 (0.72) NOX1MAPK13MAPK12MAPK11MAPK14
SCHEMBL8113912 0.78 KMT2A (0.62) NOX1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5074753 0.76 MAPK13 (0.83) NOX1MAPK13MAPK12MAPK11MAPK14
SCHEMBL16667652 0.74 MAPK13 (0.83) NOX1MAPK13MAPK12MAPK11MAPK14
Benzene SCHEMBL28852698 0.74 MAPK13 (0.82) NOX1MAPK13MAPK12MAPK11MAPK14
SCHEMBL104130 0.74 MAPK13 (0.82) NOX1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4551697 0.74 NOX1 (0.72) NOX1MAPK13MAPK12MAPK11MAPK14
SCHEMBL14149523 0.73 MAPT (0.53) MAPTGAAHPGDALOX5
SCHEMBL94910 0.72 NPC1 (0.51) MAPT

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
JP-5117241-A None JP disclosed
JP-H05117241-A 4-HYDROPEROXY-2-(N,N-DISUBSTITUTED AMINOPHENYL)-4,5-DIPHENYL-4H-ISOIMIDAZOLE ICHIKAWA TETSUYA 1993-05-14 JP disclosed