SCHEMBL28770640

SCHEMBL28770640

CCCCOc1ccc(F)c(-c2c(C(N)=O)cccc2C(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.54
▸ FFAR1 O14842 3/20 0.47
▸ FFAR4 Q5NUL3 3/20 0.47
▸ PTPN11 Q06124 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ PDE2A O00408 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL27731025 0.95 MCL1 (0.48) MCL1FFAR1FFAR4PTPN11MEN1
SCHEMBL28774631 0.90 PTPN11 (0.49) MCL1PTPN11MEN1MAPTKMT2A
SCHEMBL27710721 0.85 KMT2A (0.45) FFAR1PTPN11MEN1KMT2ASIRT2
SCHEMBL27710533 0.81 LMNA (0.47) PTPN11MEN1MAPTKMT2ANR1I2
SCHEMBL27730967 0.80 MEN1 (0.46) MCL1PTPN11MEN1MAPTKMT2A
SCHEMBL201612 0.79 MEN1 (0.54) MCL1PTPN11MEN1MAPTKMT2A
SCHEMBL201493 0.79 MEN1 (0.54) MCL1PTPN11MEN1MAPTKMT2A
SCHEMBL204373 0.79 MEN1 (0.54) MCL1PTPN11MEN1MAPTKMT2A
SCHEMBL27731118 0.79 LMNA (0.54) PTPN11MEN1MAPTKMT2ANR1I2
SCHEMBL27731003 0.79 LMNA (0.51) MCL1PTPN11MEN1MAPTKMT2A

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
Send feedback