SCHEMBL28774632

SCHEMBL28774632

CCC(F)COc1ccc(-c2c(C(N)=O)cccc2C(N)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 6/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PHKG2 P15735 1/20 0.38
▸ MARK3 P27448 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ ITK Q08881 1/20 0.38
▸ MAP4K2 Q12851 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38

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
SCHEMBL27731002 0.87 SIRT2 (0.45) PARP1SIRT2KDM4EMAP4K4PIM1
SCHEMBL27940784 0.79 MEN1 (0.52) PARP1MEN1KMT2ACHEK1MAP4K4
SCHEMBL27731011 0.79 HTT (0.47) PARP1CHEK1MAP4K4LCKCSF1R
SCHEMBL27731028 0.78 KEAP1 (0.44) PARP1SIRT2MEN1KMT2AKDM4E
SCHEMBL29618430 0.74 BCAT2 (0.54) PARP1SIRT2CHEK1PARP10NPC1
SCHEMBL15412857 0.74 PARP1 (0.58) PARP1MEN1KMT2APKMCHEK1
SCHEMBL17425093 0.69 LMNA (0.53) LMNA
SCHEMBL9118446 0.69 ELANE (0.48) PARP1MEN1KMT2AKDM4ENPC1
SCHEMBL27940786 0.68 IKBKB (0.47) PARP1MEN1KMT2AKDM4EPKM
SCHEMBL27940858 0.67 HRH3 (0.48) PARP1KDM4EKEAP1NFE2L2MAPT

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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