SCHEMBL10797002

SCHEMBL10797002

CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
ALDH1A1 P00352 2/20 0.48
CASP7 P55210 1/20 0.48
MAPT P10636 7/20 0.47
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.46
HSP90AA1 P07900 1/20 0.46
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
LMNA P02545 1/20 0.46
GALR3 O60755 1/20 0.45
HTT P42858 1/20 0.45
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
PDK1 Q15118 1/20 0.41

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
SCHEMBL10796741 0.88 MEN1 (0.52) MAPK1L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL10797447 0.88 MAPT (0.51) MAPK1L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL10801994 0.87 ALDH1A1 (0.45) MAPK1L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL11592512 0.86 MAPK1 (0.48) MAPK1L3MBTL1TDP1ALDH1A1CASP7
SCHEMBL29481567 0.85 MAPT (0.59) MAPK1L3MBTL1TDP1ALDH1A1CASP7
SCHEMBL28379811 0.85 MAPT (0.59) MAPK1L3MBTL1TDP1ALDH1A1CASP7
SCHEMBL10797256 0.85 KMT2A (0.64) MAPK1L3MBTL1TDP1ALDH1A1CASP7
SCHEMBL10797421 0.84 ALDH1A1 (0.42) MAPK1L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL10718127 0.82 MAPT (0.48) MAPK1L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL10797198 0.81 KMT2A (0.51) MAPK1L3MBTL1TDP1ALDH1A1MAPT

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