SCHEMBL2785099

SCHEMBL2785099

CC1(Cc2cc(F)cc(F)c2)C(=O)Nc2c(-c3ccncc3)cc(-c3cccc(C(F)(F)F)c3)cc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.42
▸ GRIN1 Q05586 5/20 0.37
▸ GRIN2B Q13224 5/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.35
▸ PARP11 Q9NR21 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ PIK3CD O00329 2/20 0.35
▸ RIPK3 Q9Y572 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ MAPK13 O15264 1/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ MAPK12 P53778 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34

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
SCHEMBL2785718 0.91 PIM1 (0.39) GRIN1GRIN2BPIK3CD
SCHEMBL2786628 0.90 GRIN1 (0.38) EPHX2GRIN1GRIN2BPGRMAPK14
SCHEMBL2786610 0.89 HDAC1 (0.38) GRIN1GRIN2BPARP10PARP11PGR
SCHEMBL2785994 0.88 GRIN1 (0.38) GRIN1GRIN2BPIK3CD
SCHEMBL2786464 0.81 PGR (0.39) PGRPIK3CD
SCHEMBL3020986 0.80 PGR (0.55) EPHX2PGRPIK3CD
SCHEMBL2785774 0.78 HDAC1 (0.37) PGRPIK3CD
SCHEMBL1951405 0.77 PARP10 (0.43) EPHX2GRIN1GRIN2BPARP10PARP11
SCHEMBL2787297 0.76 PGR (0.49) GRIN1GRIN2BPGRPIK3CD
SCHEMBL2785545 0.75 PGR (0.46) EPHX2GRIN1GRIN2BPGRPIK3CD

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-2209373-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck Sharp & Dohme Corp. (US) 2010-07-28 — — EP claimed
WO-2009045386-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 — — WO claimed
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