SCHEMBL7066566

SCHEMBL7066566

N#C/C(=C(\O)c1ccccc1C(F)(F)F)c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
TAS2R14 Q9NYV8 3/20 0.36
AKR1C3 P42330 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
EPHX2 P34913 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MGLL Q99685 1/20 0.33
MAPT P10636 1/20 0.33
AR P10275 1/20 0.33
RORC P51449 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL7066568 1.00 LMNA (0.40) LMNAGAATAS2R14AKR1C3MEN1
SCHEMBL7066549 0.86 MGLL (0.45) LMNAGAATAS2R14MEN1KMT2A
SCHEMBL7066546 0.86 MGLL (0.45) LMNAGAATAS2R14MEN1KMT2A
SCHEMBL7226441 0.83 RAPGEF3 (0.39) LMNAGAATAS2R14MEN1KMT2A
SCHEMBL7226446 0.83 RAPGEF3 (0.39) LMNAGAATAS2R14MEN1KMT2A
SCHEMBL7070120 0.78 LMNA (0.40) LMNAGAATAS2R14AKR1C3KCNK3
SCHEMBL7070349 0.78 LMNA (0.40) LMNAGAATAS2R14AKR1C3KCNK3
SCHEMBL27505831 0.77 LMNA (0.39) LMNAGAATAS2R14AKR1C3MEN1
SCHEMBL7070762 0.75 LMNA (0.34) LMNAGAAKMT2AKCNK3KCNK9
SCHEMBL7070760 0.75 LMNA (0.34) LMNAGAAKMT2AKCNK3KCNK9

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
EP-0996614-B1 ACRYLONITRILE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PESTICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA (JP) 2003-06-11 EP disclosed
US-6187944-B1 A PHENYL ACRYLONITRILE COMPOUNDS USEFUL AS ACTIVE INGREDIENTS OF AN INSECTICIDE, A MITICIDE, A NEMATICIDE, A SOIL PESTICIDE, A FUNGICIDE AND A MARINE ANTIFOULING AGENT ISHIHARA SANGYO KAISHA LTD. (JP) 2001-02-13 US disclosed