SCHEMBL6819872

SCHEMBL6819872

CC1(C(=O)Nc2cccc(C(F)(F)F)c2C#N)CO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
P2RX7 Q99572 2/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HDAC4 P56524 1/20 0.36
CYP1A2 P05177 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL4731094 0.74 LMNA (0.57) LMNA
SCHEMBL30158523 0.74 LMNA (0.57) LMNA
SCHEMBL13216335 0.74 LMNA (0.57) LMNA
SCHEMBL202481 0.74 LMNA (0.57) LMNA
SCHEMBL22987877 0.73 NLRP3 (0.49) P2RX7ALDH1A1MAPK1KMT2AHTT
SCHEMBL21668593 0.73 AR (0.48) LMNA
SCHEMBL14067288 0.72 SLC22A12 (0.45) P2RX7SLC22A12ALDH1A1MAPTMAPK1
SCHEMBL24989036 0.70 AR (0.56) LMNA
SCHEMBL5355743 0.68 LMNA (0.49) LMNA
SCHEMBL2722288 0.68 SLC22A12 (0.33) P2RX7SLC22A12ALDH1A1MAPTMAPK1

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
WO-2004039791-A1 A PROCESS FOR THE PRODUCTION OF N-(4-CYANO-3-TRIFLUOROMETHYLPHENYL)-2,3-EPOXY-2-METHYLPROPANAMIDE INSTYTUT FARMACEUTYCZNY (PL) 2004-05-13 WO disclosed