SCHEMBL11587719

SCHEMBL11587719

Cc1cc(F)cc(F)c1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
MAPK1 P28482 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RAPGEF4 Q8WZA2 1/20 0.39
ALDH1A1 P00352 9/20 0.38
GPR35 Q9HC97 2/20 0.38
HIF1A Q16665 2/20 0.36
KMT2A Q03164 7/20 0.35
MEN1 O00255 6/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
XBP1 P17861 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HSPB1 P04792 1/20 0.34
HSP90AA1 P07900 1/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
RAB9A P51151 1/20 0.34

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 0.91 ALDH1A1 (0.41) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL11586691 0.88 MAPT (0.41) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL11587398 0.88 MEN1 (0.43) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL11589623 0.86 ALDH1A1 (0.42) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL11588348 0.84 MAPT (0.42) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL11589544 0.83 MAPT (0.41) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL11587740 0.83 ALDH1A1 (0.43) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL11586987 0.82 MAPT (0.40) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL10797274 0.82 KMT2A (0.45) MAPTMAPK1TDP1L3MBTL1RAPGEF4
SCHEMBL11593158 0.82 MAPT (0.47) MAPTMAPK1TDP1L3MBTL1ALDH1A1

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-4084004-A Rodenticidal use of diphenylamines ELI LILLY AND COMPANY (US) 1978-04-11 US disclosed