SCHEMBL8972477

SCHEMBL8972477

CCCCC[C@H]1CC[C@H](/C=C/C2CCC(c3cc(F)c(C#N)c(F)c3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
GRM2 Q14416 1/20 0.31

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
SCHEMBL8972488 1.00 MEN1 (0.32) MEN1KMT2AGAAMAPTGRM2
SCHEMBL8972484 1.00 MEN1 (0.32) MEN1KMT2AGAAMAPTGRM2
SCHEMBL8972470 1.00 MEN1 (0.32) MEN1KMT2AGAAMAPTGRM2
SCHEMBL8972481 1.00 MEN1 (0.32) MEN1KMT2AGAAMAPTGRM2
SCHEMBL8973009 0.99 GAA (0.33) MEN1KMT2AGAAMAPTGRM2
SCHEMBL8973117 0.99 GAA (0.33) MEN1KMT2AGAAMAPTGRM2
SCHEMBL8972736 0.99 GAA (0.33) MEN1KMT2AGAAMAPTGRM2
SCHEMBL8972874 0.99 GAA (0.33) MEN1KMT2AGAAMAPTGRM2
SCHEMBL8972738 0.99 GAA (0.33) MEN1KMT2AGAAMAPTGRM2
SCHEMBL8973016 0.99 GAA (0.33) MEN1KMT2AGAAMAPTGRM2

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