SCHEMBL10797274

SCHEMBL10797274

CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1c(F)cc(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.45
MEN1 O00255 6/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
HTT P42858 3/20 0.45
GALR3 O60755 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 7/20 0.40
HIF1A Q16665 2/20 0.40
MAPT P10636 7/20 0.37
TDP1 Q9NUW8 4/20 0.37
MAPK1 P28482 4/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
HSPB1 P04792 1/20 0.37
HSP90AA1 P07900 1/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
GPR35 Q9HC97 2/20 0.36

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
SCHEMBL11136344 0.88 ALDH1A1 (0.41) KMT2AMEN1L3MBTL1HTTSMN1; SMN2
SCHEMBL11733128 0.85 ALDH1A1 (0.49) KMT2AMEN1L3MBTL1HTTALDH1A1
SCHEMBL10796809 0.85 ALDH1A1 (0.44) KMT2AMEN1L3MBTL1HTTGALR3
SCHEMBL10799930 0.83 MEN1 (0.48) KMT2AMEN1L3MBTL1HTTGALR3
SCHEMBL11587719 0.82 MAPT (0.42) KMT2AMEN1L3MBTL1HTTSMN1; SMN2
SCHEMBL10798070 0.82 ALDH1A1 (0.42) KMT2AMEN1L3MBTL1HTTGALR3
SCHEMBL11589623 0.82 ALDH1A1 (0.42) KMT2AMEN1L3MBTL1HTTGALR3
SCHEMBL10802244 0.81 KMT2A (0.47) KMT2AMEN1L3MBTL1HTTGALR3
SCHEMBL10798063 0.78 MEN1 (0.45) KMT2AMEN1L3MBTL1HTTGALR3
SCHEMBL10484818 0.78 KMT2A (0.52) KMT2AMEN1L3MBTL1HTTGALR3

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