SCHEMBL11580347

SCHEMBL11580347

N#CC(N=Nc1ccc(C(F)(F)F)cc1)=NNc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GAA P10253 2/20 0.42
GFER P55789 1/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
HTT P42858 2/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 4/20 0.39
ALOX12 P18054 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
RAPGEF3 O95398 4/20 0.38
RAPGEF4 Q8WZA2 2/20 0.38
GALK1 P51570 1/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL11580342 1.00 MAPK1 (0.42) MAPK1TDP1GAAGFERMEN1
SCHEMBL11580149 1.00 MAPK1 (0.42) MAPK1TDP1GAAGFERMEN1
SCHEMBL9422018 0.94 KMT2A (0.40) TDP1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL9422010 0.94 KMT2A (0.40) TDP1GAAMEN1KMT2ASMN1; SMN2
Tetramethylammonium Ion SCHEMBL9422033 0.89 KMT2A (0.40) TDP1GAAMEN1KMT2ASMN1; SMN2
Tetramethylammonium Ion SCHEMBL9422036 0.89 KMT2A (0.40) TDP1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL11578351 0.88 RAPGEF3 (0.41) TDP1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL11578354 0.88 RAPGEF3 (0.41) TDP1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL11577483 0.88 CYP1B1 (0.41) TDP1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL11577477 0.88 CYP1B1 (0.41) TDP1GAAMEN1KMT2ASMN1; SMN2

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-4069320-A Substituted diphenyl-3-formazancarbonitrile insecticides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-01-17 US claimed
US-4069320-A Substituted diphenyl-3-formazancarbonitrile insecticides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-01-17 US disclosed