SCHEMBL7572875

SCHEMBL7572875

Cc1cc[nH]c1C(=O)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MAPK1 P28482 2/20 0.53
GAA P10253 2/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 7/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 2/20 0.50
FLT1 P17948 2/20 0.46
FLT4 P35916 2/20 0.46
KDR P35968 2/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
MCL1 Q07820 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RORC P51449 1/20 0.43
ALDH1A1 P00352 2/20 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
SCHEMBL6985894 0.90 RORC (0.52) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL7079381 0.82 KMT2A (0.54) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL7039277 0.78 GAA (0.61) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL5172484 0.77 MAPK1 (0.60) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL5173228 0.77 MAPK13 (0.61) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL7570546 0.77 MAPK14 (0.72) KMT2AMAPK1GAAHTTMAPT
SCHEMBL5175977 0.76 KMT2A (0.56) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL7079685 0.76 CYP1A2 (0.58) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL8306939 0.76 ALDH1A1 (0.55) KMT2AHTTMAPTRAB9ASMN1; SMN2
SCHEMBL5174659 0.75 MAPK1 (0.57) 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