SCHEMBL11588564

SCHEMBL11588564

N#Cc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.48
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPT P10636 5/20 0.45
MAPK1 P28482 4/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
XBP1 P17861 1/20 0.45
VCAM1 P19320 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
KIF11 P52732 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
RAB9A P51151 1/20 0.40
THRB P10828 1/20 0.39
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL11152165 0.88 MERTK (0.58) MERTKMEN1KMT2AHSP90AA1MAPT
SCHEMBL10797141 0.88 MERTK (0.48) MERTKMEN1KMT2AHSP90AA1MAPT
SCHEMBL11593456 0.87 MEN1 (0.51) MEN1KMT2AHSP90AA1MAPTMAPK1
SCHEMBL11593772 0.87 MAPT (0.48) MEN1KMT2AHSP90AA1MAPTMAPK1
SCHEMBL11589949 0.86 VCAM1 (0.47) MERTKMEN1KMT2AHSP90AA1MAPT
SCHEMBL11137496 0.85 MEN1 (0.49) MEN1KMT2AHSP90AA1MAPTMAPK1
SCHEMBL11587736 0.85 MAPK1 (0.49) MEN1KMT2AHSP90AA1MAPTMAPK1
SCHEMBL11588380 0.84 KMT2A (0.42) MERTKMEN1KMT2AHSP90AA1MAPT
SCHEMBL11591052 0.84 MAPT (0.40) MEN1KMT2AHSP90AA1MAPTMAPK1
SCHEMBL10527347 0.84 MAPT (0.56) MEN1KMT2AHSP90AA1MAPTMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4117167-A INSECTICIDES, ACARICIDES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-26 US disclosed
US-4084004-A Rodenticidal use of diphenylamines ELI LILLY AND COMPANY (US) 1978-04-11 US disclosed