SCHEMBL1382913

SCHEMBL1382913

O=c1[nH]c(=O)n(F)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.42
CYP1A2 P05177 3/20 0.42
DAO P14920 2/20 0.42
MAT2A P31153 2/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
TNKS O95271 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GPR3 P46089 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41
PARP15 Q460N3 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
LCK P06239 1/20 0.41
PRKACA P17612 1/20 0.41
CSNK2A2 P19784 1/20 0.41
PRKACG P22612 1/20 0.41

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
SCHEMBL17501689 0.78 PKM (0.42) PARP1CYP1A2DAOMAT2AKDM4E
SCHEMBL29654412 0.78 PKM (0.42) PARP1CYP1A2DAOMAT2AKDM4E
SCHEMBL5033267 0.76 GPR3 (0.52) PARP1CYP1A2DAOKDM4EALDH1A1
SCHEMBL4558163 0.76 DAO (0.60) PARP1CYP1A2DAOKDM4ELCK
SCHEMBL29934205 0.76 DAO (0.60) PARP1CYP1A2DAOKDM4ELCK
SCHEMBL19673966 0.76 ALDH1A1 (0.52) PARP1CYP1A2DAOMAT2AKDM4E
SCHEMBL3702314 0.75 DAO (0.59) PARP1CYP1A2DAOKDM4EMEN1
Benzene SCHEMBL28335868 0.74 ADORA3 (0.50) PARP1CYP1A2DAOKDM4ELMNA
SCHEMBL30146679 0.74 PARP1 (0.44) PARP1DAOCSNK2A1
SCHEMBL9836581 0.73 MAT2A (0.61) MAT2AKDM4EMEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4811978-B2 2011-11-09 JP claimed
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP claimed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 WO claimed
CN-119546602-A Pyrrolidone derivatives as inhibitors of nfkb-induced kinase 詹森药业有限公司 2025-02-28 CN disclosed