SCHEMBL8972736

SCHEMBL8972736

CCCCCCCC[C@H]1CC[C@H](/C=C/[C@H]2CC[C@H](c3cc(F)c(C#N)c(F)c3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GRM2 Q14416 2/20 0.30

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
SCHEMBL8972854 1.00 GAA (0.33) GAAMAPTMEN1KMT2AGRM2
SCHEMBL8972895 1.00 GAA (0.33) GAAMAPTMEN1KMT2AGRM2
SCHEMBL8972866 1.00 GAA (0.33) GAAMAPTMEN1KMT2AGRM2
SCHEMBL8972874 1.00 GAA (0.33) GAAMAPTMEN1KMT2AGRM2
SCHEMBL8973117 1.00 GAA (0.33) GAAMAPTMEN1KMT2AGRM2
SCHEMBL8973112 1.00 GAA (0.33) GAAMAPTMEN1KMT2AGRM2
SCHEMBL8972738 1.00 GAA (0.33) GAAMAPTMEN1KMT2AGRM2
SCHEMBL8972743 1.00 GAA (0.33) GAAMAPTMEN1KMT2AGRM2
SCHEMBL8973009 1.00 GAA (0.33) GAAMAPTMEN1KMT2AGRM2
SCHEMBL8973012 1.00 GAA (0.33) GAAMAPTMEN1KMT2AGRM2

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
EP-0588291-B1 2-Fluorobenzonitrile derivative CHISSO CORP (JP) 1996-03-27 EP disclosed
US-5370822-A Liquid crystals CHISSO CORPORATION (JP) 1994-12-06 US disclosed
EP-0588291-A1 2-Fluorobenzonitrile derivative Chisso Corporation (JP) 1994-03-23 EP disclosed