SCHEMBL28816765

SCHEMBL28816765

O=C(O)c1cc(OC(F)(F)F)cc(N2CCN(C(=O)O)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.45
KCNA5 P22460 1/20 0.44
AURKA O14965 1/20 0.43
TPX2 Q9ULW0 1/20 0.43
MAPK1 P28482 1/20 0.43
RORC P51449 1/20 0.42
FFAR4 Q5NUL3 5/20 0.42
DDR1 Q08345 1/20 0.41
MGLL Q99685 2/20 0.41
NOTUM Q6P988 1/20 0.41
SLC6A7 Q99884 1/20 0.40

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
SCHEMBL2562917 0.87 KDM4E (0.53) AURKATPX2FFAR4DDR1NOTUM
SCHEMBL28000100 0.85 ALDH1A1 (0.44) MAPK1FFAR4DDR1
SCHEMBL16527926 0.85 LMNA (0.48) DDR1
SCHEMBL2565319 0.84 KMO (0.56) AURKATPX2FFAR4DDR1
SCHEMBL9104053 0.81 KCNA5 (0.62) KCNA5MAPK1RORCFFAR4
SCHEMBL27999922 0.81 NOTUM (0.61) ENPP2KCNA5MAPK1FFAR4NOTUM
SCHEMBL27999970 0.78 MGLL (0.53) DDR1MGLL
SCHEMBL5238137 0.78 KCNA5 (0.58) KCNA5AURKATPX2MAPK1RORC
SCHEMBL475754 0.75 AURKA (0.56) AURKATPX2
SCHEMBL31550001 0.75 AURKA (0.56) AURKATPX2

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
CN-104379560-A Benzamide derivative CHUGAI PHARMACEUTICAL CO LTD 2015-02-25 CN disclosed