SCHEMBL11235688

SCHEMBL11235688

O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cccc(C(F)(F)F)c2)c(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.62
MAPT P10636 2/20 0.52
MPO P05164 1/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSP90AA1 P07900 1/20 0.49
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AKR1B1 P15121 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
ABCG2 Q9UNQ0 3/20 0.46
FBP1 P09467 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
GRIK1 P39086 1/20 0.44
ARNT P27540 1/20 0.44

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
SCHEMBL11145707 0.92 KIF11 (0.68) KIF11MAPTMPOMEN1KMT2A
SCHEMBL10801009 0.92 KIF11 (0.58) KIF11MAPTMPOMEN1KMT2A
SCHEMBL11593897 0.90 MAPT (0.54) KIF11MAPTMPOMEN1KMT2A
SCHEMBL11063459 0.87 KMT2A (0.64) KIF11MAPTMEN1KMT2AHSP90AA1
SCHEMBL11586472 0.87 MEN1 (0.44) KIF11MAPTMEN1KMT2AHSP90AA1
SCHEMBL11594805 0.86 MAPT (0.51) KIF11MAPTMPOMEN1KMT2A
SCHEMBL11591552 0.86 MAPT (0.51) KIF11MAPTMEN1KMT2AHSP90AA1
SCHEMBL11592831 0.86 MEN1 (0.54) KIF11MAPTMEN1KMT2AHSP90AA1
SCHEMBL11587736 0.86 MAPK1 (0.49) KIF11MAPTMEN1KMT2AHSP90AA1
SCHEMBL11063352 0.84 MAPT (0.49) KIF11MAPTMEN1KMT2AHSP90AA1

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 3 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 claimed
US-4316988-A CHEMICAL INTERMEDIATE FOR RODENTICIDAL DIPHENYLAMINES ELI LILLY AND COMPANY (US) 1982-02-23 US disclosed
US-4117167-A INSECTICIDES, ACARICIDES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-26 US disclosed