SCHEMBL6181130

SCHEMBL6181130

COCCC(=O)Nc1ccc(N2CCOCC2=O)c(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.66
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
CYP2C9 P11712 1/20 0.43
GSTO1 P78417 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
SCHEMBL1377310 0.87 F10 (0.61) F10MAPT
SCHEMBL1377197 0.86 F10 (0.61) F10
SCHEMBL1379829 0.85 F10 (0.63) F10MAPTCYP2C9
SCHEMBL4027950 0.79 F10 (1.00) F10
SCHEMBL4034268 0.79 F10 (1.00) F10
SCHEMBL5627563 0.78 F10 (0.60) F10CYP2C9
SCHEMBL5629697 0.78 F10 (0.60) F10CYP2C9
SCHEMBL5626014 0.77 F10 (0.64) F10
SCHEMBL5626649 0.77 F10 (0.64) F10
SCHEMBL5627049 0.77 F10 (0.61) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562939-A1 CARBOXAMIDES MERCK PATENT GmbH (DE) 2005-08-17 EP disclosed
WO-2004046138-A1 CARBOXAMIDES MERCK PATENT GMBH (DE) 2004-06-03 WO disclosed