SCHEMBL300146

SCHEMBL300146

N#Cc1ccc(C(=O)Nc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
CYP3A4 P08684 1/20 0.62
TSHR P16473 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
MEN1 O00255 9/20 0.60
KMT2A Q03164 9/20 0.60
ALOX5 P09917 1/20 0.58
MAPT P10636 6/20 0.58
NPC1 O15118 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
RAB9A P51151 2/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
GAA P10253 1/20 0.57
RECQL P46063 1/20 0.56
LMNA P02545 3/20 0.54
AURKB Q96GD4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HCAR3 P49019 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL5540980 0.87 VCAM1 (0.59) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL8303947 0.83 ALDH1A1 (0.71) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL15208644 0.81 VCAM1 (0.53) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL288907 0.80 CASP6 (0.64) TSHRLMNAHCAR3
SCHEMBL16119726 0.80 WNT3A (0.55) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL6624180 0.80 ALDH1A1 (0.66) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL31546625 0.80 MAPT (0.69) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL6647253 0.80 MEN1 (0.72) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL1455286 0.80 KMT2A (0.90) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL2779018 0.80 KMT2A (0.68) ALDH1A1CYP3A4TSHRTDP1MEN1

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