SCHEMBL9979627

SCHEMBL9979627

COC(=O)c1cccc2c1CN(c1ccc(C(F)(F)F)cc1)C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 7/20 0.45
CFTR P13569 1/20 0.43
KDM4E B2RXH2 2/20 0.40
HDAC11 Q96DB2 1/20 0.40
CHRNB2 P17787 1/20 0.39
HTR1B P28222 1/20 0.39
SLC6A4 P31645 1/20 0.39
CHRNA4 P43681 1/20 0.39
GRM2 Q14416 1/20 0.39
ESR1 P03372 1/20 0.39
POLB P06746 1/20 0.39
NR4A1 P22736 1/20 0.39
APEX1 P27695 1/20 0.39
PTPN7 P35236 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
MCL1 Q07820 1/20 0.39
ESR2 Q92731 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL9979466 0.87 UGCG (0.44) UGCGKDM4EESR1POLBNR4A1
SCHEMBL9979478 0.85 NPC1 (0.51) UGCGKDM4EESR1POLBNR4A1
SCHEMBL9979481 0.84 SLC6A3 (0.49) UGCGKDM4EESR1POLBNR4A1
SCHEMBL9979630 0.84 SLC6A4 (0.50) UGCGKDM4ESLC6A4ESR1POLB
SCHEMBL9979551 0.79 UGCG (0.45) UGCGKDM4ECHRNB2HTR1BSLC6A4
SCHEMBL9979553 0.76 UGCG (0.43) UGCGNPC1PKMRAB9ACBLB
SCHEMBL9979557 0.76 UGCG (0.45) UGCGCHRNB2HTR1BSLC6A4CHRNA4
SCHEMBL9979596 0.75 KDM4E (0.47) UGCGKDM4EESR1POLBNR4A1
SCHEMBL9979554 0.73 UGCG (0.43) UGCGCBLB
SCHEMBL20096497 0.73 HDAC11 (0.66) CFTRHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012081570-A1 LACTAM COMPOUND OR A SALT THEREOF, AND PPAR ACTIVATOR あすか製薬株式会社 (JP) 2012-06-21 WO disclosed