SCHEMBL6560931

SCHEMBL6560931

CCc1c(C(C#N)c2cc(C)cc(C)c2)[nH]c(=O)[nH]c1=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYMP P19971 5/20 0.33
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP3A4 P08684 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL5197709 0.65 TYMP (0.38) TYMPPDE3BPDE3AKDM4EALDH1A1
SCHEMBL6086721 0.64 TYMP (0.37) TYMPPDE3BPDE3AKDM4EALDH1A1
SCHEMBL6086452 0.64 PDE3B (0.38) TYMPPDE3BPDE3AKDM4EALDH1A1
SCHEMBL1484445 0.64 POLB (0.40) TYMPPDE3BPDE3AKDM4EALDH1A1
SCHEMBL12752299 0.63 ALDH1A1 (0.32) KDM4EALDH1A1MAPTHPGD
SCHEMBL6085497 0.63 PDE3B (0.41) TYMPPDE3BPDE3AKDM4EMAPT
SCHEMBL14423060 0.61 TYMP (0.47) TYMPPDE3BPDE3AKDM4EALDH1A1
SCHEMBL9016405 0.60 TYMP (0.39) TYMPPDE3BPDE3AKDM4EALDH1A1
SCHEMBL17584937 0.58 KDM4E (0.50) PDE3BPDE3AKDM4EALDH1A1GAA
SCHEMBL28164986 0.57 ALDH1A1 (0.35) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1035116-B1 Process for the preparation of 1-[(cyclopent-3-en-1-yl)-methyl]-5-ethyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione SAMJIN PHARM CO LTD (KR) 2004-02-11 EP disclosed
US-6274732-B1 ALKYLATION SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2001-08-14 US disclosed
EP-1035116-A1 Process for the preparation of 1-[(cyclopent-3-en-1-yl)-methyl]-5-ethyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione Samjin Pharmaceutical Co., Ltd. (KR) 2000-09-13 EP disclosed