SCHEMBL28040672

SCHEMBL28040672

Cc1ccc([N+](=O)[O-])cc1CC(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
TDP1 Q9NUW8 3/20 0.53
TSHR P16473 3/20 0.53
CYP3A4 P08684 3/20 0.53
LMNA P02545 1/20 0.49
MAPT P10636 3/20 0.46
CYP1A2 P05177 1/20 0.46
PLA2G2A P14555 1/20 0.45
PDE2A O00408 1/20 0.45
PDE5A O76074 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
APEX1 P27695 1/20 0.45
PDE4A P27815 1/20 0.45
BLM P54132 1/20 0.45
PDE1B Q01064 1/20 0.45
PMP22 Q01453 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE7A Q13946 1/20 0.45

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
SCHEMBL502270 0.85 CYP1A2 (0.64) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL6405854 0.84 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL28854014 0.83 CYP3A4 (0.49) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL4002644 0.82 GAA (0.54) ALDH1A1TDP1TSHRMAPTCYP1A2
SCHEMBL4658055 0.82 CYP3A4 (0.47) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL502591 0.81 PDGFRB (0.53) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL28040574 0.81 KMT2A (0.55) ALDH1A1LMNAMAPTCYP1A2KMT2A
SCHEMBL3723235 0.81 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL6890955 0.80 ALDH1A1 (0.56) ALDH1A1TSHRCYP3A4CYP1A2PLA2G2A
SCHEMBL6206215 0.80 ALDH1A1 (0.60) ALDH1A1TDP1TSHRCYP3A4LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105228982-B 3-acetylamino-1- (phenyl-heteroaryl-aminocarbonyl or phenyl-heteroaryl-carbonylamino) benzene derivatives for the treatment of hyperproliferative disorders 拜耳制药股份公司 2018-03-27 CN disclosed
CN-105579457-B Substituted N-biphenyl-3-acetylamino-benzamides and N- [3- (acetylamino) phenyl ] -biphenyl-carboxamides and their use as WNT signaling pathway inhibitors 拜耳制药股份公司 2017-08-04 CN disclosed
CN-105579457-A Substituted N-biphenyl-3-acetylamino-benzamides and N- [3- (acetylamino) phenyl ] -biphenyl-carboxamides and their use as WNT signaling pathway inhibitors Bayer Pharma AG 2016-05-11 CN disclosed
CN-105228982-A 3-acetylamino-1- (phenyl-heteroaryl-aminocarbonyl or phenyl-heteroaryl-carbonylamino) benzene derivatives for the treatment of hyperproliferative disorders Bayer Pharma AG 2016-01-06 CN disclosed