SCHEMBL2787876

SCHEMBL2787876

CC1(Cc2cc(F)cc(F)c2)C(=O)Nc2c(-c3cncc(N)n3)cc(-c3ccc(F)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ PIK3CD O00329 7/20 0.34
▸ EPHX2 P34913 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ PIM1 P11309 2/20 0.31
▸ PIM3 Q86V86 2/20 0.31
▸ PIM2 Q9P1W9 2/20 0.31
▸ PIK3R1 P27986 1/20 0.31
▸ PGR P06401 1/20 0.31

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
SCHEMBL2784159 0.79 PIK3CD (0.40) HDAC1HDAC8HDAC6PIK3CDEPHX2
SCHEMBL2785941 0.77 PGR (0.47) PIK3CDPGR
SCHEMBL2786310 0.74 PGR (0.46) PIK3CDALOX5APFEN1PGR
SCHEMBL2785052 0.73 PIK3CD (0.40) HDAC1HDAC8HDAC6PIK3CDEPHX2
SCHEMBL3041430 0.72 ITGB2 (0.32) PIK3CD
SCHEMBL2786464 0.72 PGR (0.39) PIK3CDPIM1PGR
SCHEMBL3020049 0.71 PGR (0.55) HDAC1HDAC8HDAC6PIK3CDEPHX2
SCHEMBL2786628 0.70 GRIN1 (0.38) HDAC1HDAC8HDAC6EPHX2PGR
SCHEMBL2785852 0.70 PGR (0.41) PIK3CDEPHX2PGR
SCHEMBL2785718 0.69 PIM1 (0.39) PIK3CDPIM1

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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