SCHEMBL7569730

SCHEMBL7569730

Cc1c[nH]c(C(=O)c2ccc([N+](=O)[O-])cc2Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MAPK1 P28482 2/20 0.51
GAA P10253 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 1/20 0.49
MAPT P10636 6/20 0.48
POLB P06746 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MCL1 Q07820 1/20 0.46
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL7563806 0.78 MAPK13 (0.68) KMT2AMAPK1GAAHTTMEN1
SCHEMBL8306657 0.77 KMT2A (0.58) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL7572875 0.74 KMT2A (0.54) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL7039277 0.73 GAA (0.61) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL5172484 0.72 MAPK1 (0.60) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL5173228 0.72 MAPK13 (0.61) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL7079381 0.72 KMT2A (0.54) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL480106 0.72 KMT2A (0.70) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL7571478 0.71 MAPK14 (0.67) KMT2AMEN1
SCHEMBL5174693 0.71 KMT2A (0.56) KMT2AMAPK1GAAHTTNPSR1

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-2002083622-A2 NOVEL AMINOPHENYL KETONE DERIVATIVES LEO PHARMA A/S (DK) 2002-10-24 WO disclosed