SCHEMBL30402103

SCHEMBL30402103

COC(=O)c1cccc2c[n+]([O-])ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
SCN9A Q15858 1/20 0.43
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
CFTR P13569 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL16735359 1.00 MAPT (0.49) MAPTSCN9AKDM4EPOLBATM
SCHEMBL28892181 0.88 MAPT (0.49) MAPTSCN9AKDM4EPOLBATM
SCHEMBL30104315 0.77 MAPT (0.43) MAPTKDM4EPOLBATMABL1
SCHEMBL24704091 0.77 MAPT (0.43) MAPTKDM4EPOLBATMABL1
SCHEMBL522791 0.77 MAPT (0.63) MAPTKDM4EPOLBATMMAPK8
SCHEMBL29580762 0.77 MAPT (0.63) MAPTKDM4EPOLBATMMAPK8
SCHEMBL1011953 0.75 MAPT (0.54) MAPTKDM4EPOLBATMABL1
SCHEMBL11055936 0.75 MAPT (0.61) MAPTKDM4EPOLBATMMAPK8
SCHEMBL28866217 0.75 MAPT (0.61) MAPTKDM4EPOLBATMMAPK8
SCHEMBL28775345 0.75 MAPT (0.61) MAPTKDM4EPOLBATMMAPK8

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
CN-116096718-A Aryl amide compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-05-09 CN disclosed