SCHEMBL9915523

SCHEMBL9915523

CCCCOc1cn(OCc2ccccc2)c(C(=O)Nc2ccc(C=O)cc2)cc1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
FAAH O00519 9/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRB2 P07550 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MET P08581 1/20 0.36
PPARA Q07869 1/20 0.36
GPR35 Q9HC97 1/20 0.36

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
SCHEMBL9915323 0.82 NR1H4 (0.41) C5AR1MEN1KMT2ACNR1CNR2
SCHEMBL9915331 0.81 MEN1 (0.40) MEN1KMT2ANPC1RAB9A
SCHEMBL9915520 0.81 NR1H4 (0.45) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL14124973 0.80 PPIA (0.48) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL16744418 0.79 MEN1 (0.47) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL9915333 0.78 PTPRC (0.40) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL16747359 0.77 MAPT (0.44) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL14124972 0.76 KMT2A (0.45) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL16747360 0.75 MEN1 (0.41) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL9915381 0.72 NPC1 (0.38) C5AR1MEN1KMT2AKDM4ENPC1

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-2012073138-A1 MONOBACTAMS PFIZER INC. (US) 2012-06-07 WO disclosed