SCHEMBL15775355

SCHEMBL15775355

O=c1nc(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.68
MMP9 P14780 4/20 0.68
MMP8 P22894 4/20 0.68
TNKS O95271 4/20 0.63
TNKS2 Q9H2K2 4/20 0.63
PARP2 Q9UGN5 2/20 0.63
GUSB P08236 1/20 0.63
NLRP3 Q96P20 1/20 0.63
IDO1 P14902 2/20 0.56
MAPT P10636 7/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
HTT P42858 4/20 0.56
MMP13 P45452 3/20 0.56
CASP3 P42574 2/20 0.56
SENP8 Q96LD8 2/20 0.56
SENP7 Q9BQF6 2/20 0.56
SENP6 Q9GZR1 2/20 0.56
NPBWR1 P48145 5/20 0.54
PARP1 P09874 3/20 0.54

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
SCHEMBL8618963 0.86 ALDH1A1 (0.56) MMP2MMP9MMP8TNKSTNKS2
SCHEMBL2823766 0.81 ALDH1A1 (0.64) TNKSTNKS2MAPTNPC1RAB9A
SCHEMBL5010434 0.81 MMP2 (1.00) MMP2MMP9MMP8TNKSTNKS2
SCHEMBL15775687 0.79 TNKS (0.59) TNKSTNKS2MAPTNPC1RAB9A
SCHEMBL15775265 0.79 MAPT (0.68) MMP2MMP9MMP8TNKSTNKS2
SCHEMBL8618978 0.79 KDM4E (0.61) TNKSTNKS2PARP2MAPTNPC1
SCHEMBL10628275 0.79 ALDH1A1 (0.61) MMP2MMP9MMP8TNKSTNKS2
SCHEMBL8618923 0.79 TNKS (0.59) TNKSTNKS2PARP2GUSBIDO1
SCHEMBL15775875 0.79 ALDH1A1 (0.49) MMP2MMP9MMP8TNKSTNKS2
SCHEMBL15775502 0.79 PARP1 (0.59) TNKSTNKS2GUSBMAPTPARP1

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
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed