SCHEMBL17994007

SCHEMBL17994007

CCc1cc(NC(C)=O)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
NR2E1 Q9Y466 1/20 0.48
GPR35 Q9HC97 1/20 0.47
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.46
ACP1 P24666 1/20 0.45
TRPA1 O75762 5/20 0.44
CYP1A2 P05177 3/20 0.44
KIF11 P52732 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
JUN P05412 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
P2RX1 P51575 2/20 0.43
MTOR P42345 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
SCHEMBL9886158 0.88 MAPT (0.47) MAPTNR2E1GPR35LMNAALDH1A1
SCHEMBL9885346 0.84 MAPT (0.47) MAPTNR2E1GPR35LMNAALDH1A1
SCHEMBL5773763 0.84 MAPT (0.67) MAPTNR2E1GPR35LMNAALDH1A1
SCHEMBL10751967 0.83 LMNA (0.47) MAPTNR2E1GPR35LMNAALDH1A1
SCHEMBL14075740 0.82 LMNA (0.54) MAPTLMNAALDH1A1CYP1A2
SCHEMBL22573111 0.80 MAPT (0.50) MAPTGPR35LMNAALDH1A1ACP1
SCHEMBL28670019 0.78 MAPT (0.47) MAPTNR2E1GPR35LMNAALDH1A1
SCHEMBL23328069 0.78 MAPT (0.59) MAPTNR2E1GPR35LMNAALDH1A1
SCHEMBL12144643 0.78 MAPT (0.54) MAPTNR2E1GPR35LMNAACP1
SCHEMBL30977688 0.78 MAPT (0.54) MAPTNR2E1GPR35LMNAACP1

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-1737811-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-08-10 EP disclosed