SCHEMBL6069330

SCHEMBL6069330

NC(=O)c1cc(NO)ccc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.50
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 3/20 0.39
GFER P55789 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDR P35968 1/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
USP2 O75604 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
MCL1 Q07820 1/20 0.38
GLA P06280 1/20 0.37
KEAP1 Q14145 1/20 0.37
HDAC1 Q13547 2/20 0.37

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
SCHEMBL21230658 0.84 KDM4E (0.59) IKBKBKDM4EKMT2AGFERRXFP1
SCHEMBL17774946 0.82 IKBKB (0.49) IKBKBKDM4EKMT2AGFERRXFP1
SCHEMBL17779229 0.78 IKBKB (0.45) IKBKBKDM4EGFERMAPTTDP1
SCHEMBL17774947 0.78 IKBKB (0.45) IKBKBKDM4EKMT2AGFERRXFP1
SCHEMBL19788692 0.78 IKBKB (0.45) IKBKBKDM4EKMT2AGFERRXFP1
SCHEMBL13030242 0.77 IKBKB (0.51) IKBKBPOLBALDH1A1MAPK1
SCHEMBL17774906 0.75 ALDH1A1 (0.47) IKBKBKDM4EKMT2AMAPTMEN1
SCHEMBL17774908 0.75 ALDH1A1 (0.50) IKBKBKDM4EKMT2AMAPTMEN1
SCHEMBL688411 0.75 MAPT (0.56) IKBKBKDM4EKMT2AGFERRXFP1
SCHEMBL5722013 0.74 DGAT1 (0.35) KDM4EKMT2AKDRMAPTMEN1

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-7071219-B2 Mono-acylated o-phenylendiamines derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed