SCHEMBL10796751

SCHEMBL10796751

CC(C)(C)c1cc([N+](=O)[O-])c(Nc2ccc(F)cc2F)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.44
ALDH1A1 P00352 6/20 0.42
MAPK1 P28482 4/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GLA P06280 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPAS1 Q99814 1/20 0.40

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 0.85 MAPK1 (0.48) TDP1GAAALDH1A1MAPK1HTT
SCHEMBL11735174 0.83 TDP1 (0.53) ATMTDP1ALDH1A1MAPK1HTT
SCHEMBL10796809 0.82 ALDH1A1 (0.44) ATMTDP1GAAALDH1A1MAPK1
SCHEMBL10801689 0.82 HRAS (0.49) ATMTDP1GAAALDH1A1MAPK1
SCHEMBL10799904 0.78 MAPT (0.52) TDP1GAAALDH1A1MAPK1HTT
SCHEMBL10801744 0.77 MAPK1 (0.53) TDP1GAAALDH1A1MAPK1HTT
SCHEMBL3602490 0.76 ATM (0.51) ATMTDP1GAAALDH1A1MAPK1
SCHEMBL10797159 0.76 MAPK1 (0.47) TDP1ALDH1A1MAPK1HTTNPC1
SCHEMBL11387513 0.76 TDP1 (0.47) ATMTDP1ALDH1A1MAPK1HTT
SCHEMBL11137481 0.75 ATM (0.44) ATMTDP1GAAALDH1A1HTT

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