SCHEMBL21761699

SCHEMBL21761699

Cn1c(C(F)(F)F)nc(C#N)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CTSK P43235 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
SCHEMBL21887060 0.77
SCHEMBL7219380 0.74 KDM4E (0.31) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL12849485 0.71 KDM4E (0.32) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL31144952 0.69 PSMB8 (0.33) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL7219382 0.69 KDM4E (0.31) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL11659982 0.68 KDM4E (0.30) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL11659977 0.68 KDM4E (0.30) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL7213370 0.65
SCHEMBL19261619 0.61 GRM2 (0.47) KDM4EALDH1A1GAA
SCHEMBL2774975 0.60 HTT (0.32)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3266058-B1 ELECTRODES FOR LI-ION BATTERIES WITH IMPROVED CONDUCTIVITY ARKEMA FRANCE (FR) 2020-02-26 EP disclosed