SCHEMBL17826958

SCHEMBL17826958

O=C(O)c1ccc2c(c1)[nH]c(=O)n2-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.48
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
EPHX2 P34913 2/20 0.42
HPD P32754 1/20 0.42
PDE5A O76074 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
TPX2 Q9ULW0 1/20 0.41
FAAH O00519 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
MAT2A P31153 1/20 0.39

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
SCHEMBL2279270 0.88 ALDH1A1 (0.52) KDM4EL3MBTL1POLBMEN1KMT2A
SCHEMBL6840348 0.84 KMT2A (0.53) AURKAKDM4EL3MBTL1MEN1KMT2A
SCHEMBL702708 0.82 AURKA (0.54) AURKAKDM4EL3MBTL1MEN1KMT2A
SCHEMBL4947302 0.81 HSP90AA1 (0.56) KDM4EL3MBTL1POLBMEN1KMT2A
SCHEMBL6840347 0.81 AURKA (0.64) AURKAKDM4EL3MBTL1POLBMEN1
SCHEMBL6840233 0.78 AURKA (0.52) AURKAKDM4EL3MBTL1MEN1KMT2A
SCHEMBL4922308 0.78 L3MBTL1 (0.48) KDM4EL3MBTL1POLBMEN1KMT2A
SCHEMBL25380366 0.76 PPARG (0.47) AURKAL3MBTL1POLBMEN1KMT2A
SCHEMBL30561348 0.76 PPARG (0.47) AURKAL3MBTL1POLBMEN1KMT2A
SCHEMBL29703089 0.75 AURKA (0.50) AURKAKDM4EL3MBTL1MEN1KMT2A

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-2358202-B1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-06-15 EP disclosed