SCHEMBL10698668

SCHEMBL10698668

N#Cc1nc(-c2ccc([N+](=O)[O-])cc2)[nH]c1C#N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
MMP2 P08253 4/20 0.50
MMP9 P14780 4/20 0.50
MMP8 P22894 4/20 0.50
HTT P42858 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MMP13 P45452 3/20 0.50
CASP3 P42574 2/20 0.50
SENP8 Q96LD8 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
TNKS O95271 3/20 0.47
TNKS2 Q9H2K2 3/20 0.47
GUSB P08236 1/20 0.47
NLRP3 Q96P20 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
PARP1 P09874 3/20 0.45
IDO1 P14902 1/20 0.45
NPBWR1 P48145 6/20 0.43

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
SCHEMBL10696460 0.83 MAPT (0.55) MAPTMMP2MMP9MMP8HTT
SCHEMBL10695090 0.80 PARP1 (0.55) MAPTMMP2MMP9MMP8HTT
SCHEMBL18402405 0.78 RHEB (0.49) PARP1IDO1
SCHEMBL10696735 0.76 ERBB2 (0.47) MAPTMMP2MMP9MMP8MMP13
SCHEMBL10697291 0.76 ERBB2 (0.47) MAPTNPC1RAB9ATNKSTNKS2
SCHEMBL10695576 0.76 ERBB2 (0.47) MAPTHTTNPC1RAB9ATNKS
SCHEMBL28533254 0.76 MMP3 (0.41) MAPTTNKSTNKS2GUSBPARP1
SCHEMBL10697336 0.76 ERBB2 (0.47) NPC1RAB9ATNKSTNKS2PARP2
SCHEMBL7074324 0.76 ALDH1A1 (0.49) MAPTHTTNPC1RAB9ATNKS
SCHEMBL10695311 0.75 KDM4E (0.48) MAPTMMP2MMP9MMP8MMP13

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
EP-0269238-A1 Imidazoles and their compositions for plant growth regulation MAY & BAKER LIMITED (GB) 1988-06-01 EP disclosed