SCHEMBL1000462

SCHEMBL1000462

NC(=O)c1ccc2ccc[n+]([O-])c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.43
PARP1 P09874 8/20 0.42
PLAU P00749 1/20 0.40
CHEK2 O96017 3/20 0.39
NNMT P40261 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
APOBEC3A P31941 1/20 0.38
KMT2A Q03164 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.36
TNKS O95271 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36

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
SCHEMBL5792614 0.87 LCK (0.43) LCKPARP1PLAUCHEK2NNMT
SCHEMBL15046544 0.85 MEN1 (0.44) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL15677341 0.83 MAPT (0.47) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL2671813 0.80 ALOX15 (0.46) LCKPLAUKDM4EALDH1A1MEN1
SCHEMBL29893361 0.80 ALOX15 (0.46) LCKPLAUKDM4EALDH1A1MEN1
SCHEMBL2671486 0.76 CA12 (0.48) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1286632 0.73 MEN1 (0.47) PLAUKDM4EALDH1A1MEN1KMT2A
SCHEMBL1771117 0.73 TNNI3 (0.47) ALDH1A1MEN1KMT2ATSHRHSD17B10
SCHEMBL3726302 0.71 PTPN1 (0.45) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL3824645 0.71 PTPN1 (0.45) KDM4EALDH1A1MEN1HPGDKMT2A

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-2456759-A2 PESTICIDAL CARBOXAMIDES Bayer CropScience AG (DE) 2012-05-30 EP disclosed
WO-2011009540-A2 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2011-01-27 WO disclosed