SCHEMBL17328526

SCHEMBL17328526

NC(=O)Cc1cc(F)cc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 6/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CA2 P00918 1/20 0.39
DAO P14920 2/20 0.39
GPR52 Q9Y2T5 1/20 0.38
MAPK8 P45983 1/20 0.38
FFAR4 Q5NUL3 1/20 0.36
SIRT1 Q96EB6 1/20 0.36

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
SCHEMBL3340425 0.86 CA2 (0.46) CA2SIRT1
SCHEMBL1115062 0.86 CA2 (0.46) CA2MAPK8
Hydrochloric Acid SCHEMBL3341453 0.84 IDO1 (0.45) CA2SIRT1
Hydrochloric Acid SCHEMBL6256367 0.84 MAPK8 (0.45) CA2MAPK8
SCHEMBL156863 0.82 FFAR4 (0.43) METAP2CA2DAOFFAR4
SCHEMBL5411388 0.81 CA2 (0.39) CA2SIRT1
SCHEMBL14109398 0.81 DAO (0.36) METAP2AURKARPS6KB1DAOGPR52
SCHEMBL1651345 0.78 CA2 (0.50) CA2SIRT1
SCHEMBL31421901 0.77 CA2 (0.39) CA2SIRT1
SCHEMBL3932314 0.77 CA2 (0.39) CA2MAPK8

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-2627631-B1 PYRROLIDINONES AS METAP2 INHIBITORS MERCK PATENT GMBH (DE) 2015-12-16 EP claimed