SCHEMBL4463318

SCHEMBL4463318

CC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 2/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
BRAF P15056 3/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
GPR35 Q9HC97 3/20 0.44
ALDH1A1 P00352 3/20 0.43
LCK P06239 1/20 0.43
KIT P10721 1/20 0.43
SRC P12931 1/20 0.43
MAPK14 Q16539 1/20 0.43
CRHR1 P34998 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL5166111 0.87 CYP1A2 (0.60) TAS2R14MEN1KMT2ACYP1A2GAA
SCHEMBL11055173 0.85 TAS2R14 (0.60) TAS2R14MEN1KMT2ACYP1A2GAA
SCHEMBL28141674 0.82 TAS2R14 (0.57) TAS2R14MEN1KMT2ACYP1A2GAA
SCHEMBL14285769 0.81 TAS2R14 (0.50) TAS2R14MEN1KMT2ACYP1A2GAA
SCHEMBL24459355 0.81 MAPT (0.54) TAS2R14MEN1KMT2ACYP1A2GAA
SCHEMBL1273833 0.78 GAA (0.70) TAS2R14GAABRAFHTTRAB9A
SCHEMBL18763038 0.78 ALDH1A1 (0.53) TAS2R14MEN1KMT2ACYP1A2CYP2C19
SCHEMBL31394374 0.78 TAS2R14 (0.50) TAS2R14MEN1KMT2ACYP1A2GAA
SCHEMBL24225035 0.78 TGM2 (0.58) TAS2R14MEN1KMT2ACYP1A2GAA
SCHEMBL29560526 0.78 ALDH1A1 (0.53) TAS2R14MEN1KMT2ACYP1A2CYP2C19

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-2009045083-A2 COMBINATION THERAPY FOR NEUROPROTECTION S.H. PHARMA., LTD (KR) 2009-04-09 WO claimed