SCHEMBL10801744

SCHEMBL10801744

CC(C)(C)c1cc([N+](=O)[O-])c(Nc2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.53
ALDH1A1 P00352 5/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CASP7 P55210 1/20 0.53
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
MAPT P10636 5/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 2/20 0.49
HTT P42858 2/20 0.49
GLA P06280 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
GAA P10253 3/20 0.48
PKM P14618 1/20 0.48
PDK1 Q15118 1/20 0.45

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
SCHEMBL10803243 0.87 MAPK1 (0.48) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL10797260 0.87 MAPK1 (0.62) MAPK1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL28405679 0.87 GAA (0.56) MAPK1ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL27083675 0.87 MAPK1 (0.53) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL10799433 0.83 MEN1 (0.55) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL10799904 0.82 MAPT (0.52) MAPK1ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL28379811 0.81 MAPT (0.59) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL29481567 0.81 MAPT (0.59) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL10797002 0.80 MAPK1 (0.48) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL28172411 0.80 MAPK1 (0.68) MAPK1ALDH1A1TDP1L3MBTL1CASP7

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
US-4670596-A INSECTICIDE, MITICIDE ELI LILLY AND COMPANY (US) 1987-06-02 US disclosed