SCHEMBL11588348

SCHEMBL11588348

Cc1cc(C)c(F)c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2C(F)(F)F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
MAPK1 P28482 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 9/20 0.40
GPR35 Q9HC97 1/20 0.40
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
LMNA P02545 3/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
XBP1 P17861 1/20 0.37
HSP90AA1 P07900 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
RAB9A P51151 1/20 0.36
HIF1A Q16665 1/20 0.36
HTT P42858 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL11586985 0.93 MAPT (0.39) MAPTMAPK1L3MBTL1TDP1ALDH1A1
SCHEMBL11586255 0.92 MAPT (0.38) MAPTMAPK1L3MBTL1TDP1ALDH1A1
SCHEMBL11586474 0.90 MAPT (0.39) MAPTMAPK1L3MBTL1TDP1ALDH1A1
SCHEMBL11393408 0.89 ALDH1A1 (0.40) MAPTMAPK1L3MBTL1TDP1ALDH1A1
SCHEMBL11587419 0.87 MAPT (0.42) MAPTMAPK1L3MBTL1TDP1ALDH1A1
SCHEMBL11206832 0.86 ALDH1A1 (0.41) MAPTMAPK1L3MBTL1TDP1ALDH1A1
SCHEMBL11591076 0.86 MEN1 (0.40) MAPTMAPK1L3MBTL1TDP1ALDH1A1
SCHEMBL11587740 0.86 ALDH1A1 (0.43) MAPTMAPK1L3MBTL1TDP1ALDH1A1
SCHEMBL11589864 0.86 MAPT (0.41) MAPTMAPK1L3MBTL1TDP1ALDH1A1
SCHEMBL11590742 0.86 MEN1 (0.43) MAPTMAPK1L3MBTL1TDP1ALDH1A1

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