SCHEMBL27731003

SCHEMBL27731003

CCCCOc1cc(-c2c(C(N)=O)cccc2C(N)=O)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ NR1I2 O75469 1/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ RORC P51449 2/20 0.44
▸ MKNK1 Q9BUB5 2/20 0.43
▸ MKNK2 Q9HBH9 2/20 0.43
▸ MCL1 Q07820 1/20 0.42
▸ CNR1 P21554 2/20 0.42
▸ PTPN11 Q06124 3/20 0.41
▸ RARA P10276 1/20 0.41
▸ RARB P10826 1/20 0.41

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
SCHEMBL27730966 0.94 LMNA (0.46) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL27731010 0.90 LMNA (0.51) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL27730976 0.84 LMNA (0.46) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL27731023 0.81 LMNA (0.58) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL27940784 0.80 MEN1 (0.52) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL28770640 0.79 MCL1 (0.54) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL27730967 0.79 MEN1 (0.46) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL27710512 0.78 IRAK4 (0.54) RORCMKNK1MKNK2
SCHEMBL27731118 0.78 LMNA (0.54) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL27730999 0.77 LMNA (0.57) LMNAMEN1NR1I2CHRM2CYP3A4

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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