SCHEMBL9979596

SCHEMBL9979596

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ESR1 P03372 1/20 0.47
POLB P06746 1/20 0.47
NR4A1 P22736 1/20 0.47
APEX1 P27695 1/20 0.47
PTPN7 P35236 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
MCL1 Q07820 1/20 0.47
ESR2 Q92731 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
UGCG Q16739 2/20 0.43
DHODH Q02127 1/20 0.40
LIPE Q05469 6/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
THRB P10828 1/20 0.39
PPARG P37231 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
SCHEMBL9979466 0.88 UGCG (0.44) KDM4EESR1POLBNR4A1APEX1
SCHEMBL9979597 0.84 UGCG (0.43) UGCGLIPENPC1PKMRAB9A
SCHEMBL9979659 0.81 UGCG (0.43) POLBUGCGLIPENPC1PKM
SCHEMBL9979552 0.81 UGCG (0.41) UGCGLIPENPC1PKMRAB9A
SCHEMBL9979649 0.80 HSP90AA1 (0.47) KDM4EESR1POLBNR4A1APEX1
SCHEMBL9979601 0.80 NPC1 (0.55) KDM4EESR1POLBNR4A1APEX1
SCHEMBL9979473 0.80 UGCG (0.45) KDM4EESR1POLBNR4A1APEX1
SCHEMBL9979474 0.79 UGCG (0.41) UGCGLIPENPC1PKMRAB9A
SCHEMBL28623206 0.76 NPC1 (0.68) KDM4ELIPENPC1PKMRAB9A
SCHEMBL9979627 0.75 UGCG (0.45) KDM4EESR1POLBNR4A1APEX1

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