SCHEMBL27705000

SCHEMBL27705000

NC(=O)c1cccc(C(N)=O)c1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
CTSD P07339 1/20 0.50
CDC7 O00311 1/20 0.50
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
S100A4 P26447 2/20 0.47
PTPRC P08575 1/20 0.47
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.45
SLC9A1 P19634 1/20 0.45
PPIA P62937 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
BCAT2 O15382 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL15741931 0.94 TSHR (0.53) KEAP1NFE2L2CTSDCDC7ALDH1A1
SCHEMBL2362517 0.93 CDC7 (0.45) KEAP1NFE2L2CTSDCDC7ALDH1A1
SCHEMBL995083 0.86 LMNA (0.54) CTSDCDC7ALDH1A1TDP1TSHR
SCHEMBL29950282 0.86 LMNA (0.54) CTSDCDC7ALDH1A1TDP1TSHR
SCHEMBL14120523 0.86 ALDH1A1 (0.43) KEAP1NFE2L2CTSDCDC7ALDH1A1
SCHEMBL27731050 0.86 KEAP1 (0.44) KEAP1NFE2L2CTSDCDC7ALDH1A1
SCHEMBL1083489 0.84 MAPT (0.47) KEAP1NFE2L2CTSDCDC7ALDH1A1
SCHEMBL10766788 0.82 CTSD (0.65) CTSDALDH1A1TDP1TSHRLMNA
SCHEMBL115478 0.82 CTSD (0.65) CTSDALDH1A1TDP1TSHRLMNA
SCHEMBL299878 0.82 FBP1 (0.49) KEAP1NFE2L2CTSDCDC7ALDH1A1

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
CN-101172958-A N,N*-2(2substituted phenyl) derivant of - 4-methoxy-1,3-benzol diamide and use of the same UNIV TIANJIN TECHNOLOGY (CN) 2008-05-07 CN claimed
CN-101172958-A N,N*-2(2substituted phenyl) derivant of - 4-methoxy-1,3-benzol diamide and use of the same UNIV TIANJIN TECHNOLOGY (CN) 2008-05-07 CN disclosed