SCHEMBL28290458

SCHEMBL28290458

NC(=O)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2C9 P11712 4/20 0.39
CYP2C19 P33261 4/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FABP4 P15090 1/20 0.39
BCAT2 O15382 1/20 0.37
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
PDK2 Q15119 1/20 0.35
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL27879745 0.82 BCAT2 (0.40) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL1455321 0.79 KMT2A (0.48) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL6647255 0.79 ALDH1A1 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL4776531 0.79 FABP4 (0.46) KMT2AALDH1A1MEN1FABP4BCAT2
SCHEMBL3763563 0.79 FABP4 (0.43) KMT2AALDH1A1MEN1FABP4BCAT2
SCHEMBL300147 0.76 ALDH1A1 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL5314054 0.76 FABP4 (0.46) KMT2AALDH1A1MEN1FABP4BCAT2
SCHEMBL27599997 0.76 FABP4 (0.46) KMT2AALDH1A1MEN1FABP4BCAT2
SCHEMBL30339795 0.75 FABP4 (0.58) FABP4BCAT2NR1H2NR1H3PDK2
SCHEMBL530568 0.75 FABP4 (0.58) FABP4BCAT2NR1H2NR1H3PDK2

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
CN-105732414-B The method of control of amide derivatives, the noxious organism control agent containing the amide derivatives and harmful organism 三井化学AGRO株式会社 2019-05-03 CN disclosed