SCHEMBL10696460

SCHEMBL10696460

N#Cc1nc(-c2cccc([N+](=O)[O-])c2)[nH]c1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
RAB9A P51151 3/20 0.55
HTT P42858 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GUSB P08236 1/20 0.52
MMP13 P45452 2/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
LMNA P02545 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HCRTR1 O43613 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL10698668 0.83 MAPT (0.50) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL10695790 0.82 MAPT (0.50) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL10697175 0.77 DCUN1D1 (0.46) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL10694148 0.76 MGAM (0.47) L3MBTL1GUSBTYMPGRK6
SCHEMBL10695348 0.76 GAA (0.47) HTTLMNAALDH1A1NPBWR1
SCHEMBL11602075 0.75 MMP13 (0.53) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL7074324 0.75 ALDH1A1 (0.49) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL31398155 0.73 MAPT (0.62) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL10694557 0.73 HPGD (0.53) MEN1KMT2AHTTL3MBTL1CYP1A2
SCHEMBL4606203 0.72 MMP13 (0.62) MAPTMEN1KMT2ASMN1; SMN2RAB9A

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