SCHEMBL300147

SCHEMBL300147

N#Cc1ccc(C(N)=O)c(-c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
BCAT2 O15382 1/20 0.37
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
VCAM1 P19320 1/20 0.36
CDC7 O00311 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
IKBKB O14920 1/20 0.34
CASP1 P29466 1/20 0.34
ADORA1 P30542 1/20 0.34
MAPK1 P28482 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL28992366 0.81 ALDH1A1 (0.49) ALDH1A1BCAT2KMT2AMEN1CDC7
SCHEMBL1455321 0.79 KMT2A (0.48) ALDH1A1BCAT2KMT2APOLBMEN1
SCHEMBL6647255 0.79 ALDH1A1 (0.46) ALDH1A1BCAT2KMT2APOLBMEN1
SCHEMBL27879745 0.79 BCAT2 (0.40) ALDH1A1BCAT2KMT2APOLBMEN1
SCHEMBL28290458 0.76 ABCC8 (0.40) ALDH1A1BCAT2KMT2APOLBMEN1
SCHEMBL15559908 0.74 ALDH1A1 (0.46) ALDH1A1BCAT2KMT2AMEN1SMN1; SMN2
SCHEMBL1083491 0.74 BCAT2 (0.41) ALDH1A1BCAT2KMT2APOLBMEN1
SCHEMBL29193181 0.72 XDH (0.40) ALDH1A1POLBRAB9A
SCHEMBL4151580 0.72 BCAT2 (0.59) ALDH1A1BCAT2KMT2APOLBMEN1
SCHEMBL27576272 0.71 BCAT2 (0.49) ALDH1A1BCAT2KMT2APOLBMEN1

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
EP-2427427-A1 4 -CYANO- 3 -BENZOYLAMINO-N- PHENYL-BENZAMIDES FOR USE IN PEST CONTROL Syngenta Participations AG (CH) 2012-03-14 EP disclosed
WO-2010127926-A1 4 -CYANO- 3 -BENZOYLAMINO-N- PHENYL-BENZAMIDES FOR USE IN PEST CONTROL SYNGENTA PARTICIPATIONS AG (CH) 2010-11-11 WO disclosed