SCHEMBL27731002

SCHEMBL27731002

CCC(F)COc1cccc(-c2c(C(N)=O)cccc2C(N)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ NR1H2 P55055 7/20 0.39
▸ NR1H3 Q13133 6/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ PKN2 Q16513 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ BRSK1 Q8TDC3 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ HIPK2 Q9H2X6 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ STK17A Q9UEE5 1/20 0.39
▸ MAP4K5 Q9Y4K4 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 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
SCHEMBL28774632 0.87 PARP1 (0.39) SIRT2MAP4K4PIM1PIM3AURKB
SCHEMBL27730969 0.80 HTT (0.45) SIRT2NR1H2NR1H3DYRK3MAP4K4
SCHEMBL27731028 0.76 KEAP1 (0.44) SIRT2KDM4ESMN1; SMN2PARP1
SCHEMBL27940845 0.75 PARP1 (0.58) KDM4ENPC1TP53RECQLRAB9A
SCHEMBL28741252 0.74 GAA (0.46) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL20201508 0.70 ADRB2 (0.50) —
SCHEMBL27730996 0.69 KAT6A (0.46) SIRT2DYRK3MAP4K4PIM1RPS6KB1
SCHEMBL27730967 0.68 MEN1 (0.46) SIRT2DHODH
SCHEMBL18952331 0.68 PARP1 (0.56) PARP1
SCHEMBL17425093 0.68 LMNA (0.53) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101186586-A N,N'-difluorophenyl derivative of 4-methoxyl-1,3-phthalamide and use thereof UNIV TIANJIN TECHNOLOGY (CN) 2008-05-28 — — CN claimed
CN-101186586-B N,N'-difluorophenyl derivative of 4-methoxyl-1,3-phthalamide and use thereof UNIV TIANJIN TECHNOLOGY 2010-06-30 — — CN disclosed
CN-101186586-A N,N'-difluorophenyl derivative of 4-methoxyl-1,3-phthalamide and use thereof UNIV TIANJIN TECHNOLOGY (CN) 2008-05-28 — — CN disclosed
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