SCHEMBL30647261

SCHEMBL30647261

NC(=O)c1cc(C(=O)O)c[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
DYRK1A Q13627 1/20 0.47
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 3/20 0.38
ATM Q13315 1/20 0.38
NAPRT Q6XQN6 1/20 0.37
DHODH Q02127 2/20 0.37
KDM3B Q7LBC6 1/20 0.35
CDC7 O00311 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
POLB P06746 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
PARP1 P09874 1/20 0.34
HTT P42858 2/20 0.33
TYK2 P29597 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PLA2G2A P14555 1/20 0.33

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
SCHEMBL18696150 0.88 CDC7 (0.43) NOTUMDYRK1AKDM4EALDH1A1ATM
SCHEMBL6988092 0.86 DYRK1A (0.62) NOTUMDYRK1AKDM4EALDH1A1NAPRT
SCHEMBL28975479 0.79 MAPT (0.39) DYRK1AALDH1A1ATMPOLBKMT2A
SCHEMBL31702834 0.78 NOTUM (0.50) NOTUMDYRK1AKDM4EALDH1A1NAPRT
SCHEMBL18584787 0.78 CDC7 (0.36) NOTUMDYRK1AALDH1A1ATMCDC7
SCHEMBL20494535 0.77 NOTUM (0.48) NOTUMDYRK1AKDM4EHTTKMT2A
SCHEMBL21086635 0.74 DYRK1A (0.40) DYRK1AKDM4EALDH1A1ATMNAPRT
SCHEMBL5190778 0.74 ERCC1 (0.53) DYRK1AKDM4EALDH1A1ATMCDC7
SCHEMBL16918372 0.74 DAO (0.53) DYRK1AKDM4EALDH1A1ATMDHODH
SCHEMBL29159168 0.74 SMN1; SMN2 (0.56) NOTUMALDH1A1DHODHPOLBMTNR1A

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-108137542-B Pyridone dicarboxamides as bromodomain inhibitors 葛兰素史克知识产权第二有限公司 2023-10-27 CN disclosed