SCHEMBL6086504

SCHEMBL6086504

Cc1cc(C)cc(Sc2[nH]c(=O)[nH]c(=O)c2C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.37
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
NOTUM Q6P988 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
CYP3A4 P08684 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7837061 0.82 TPH1 (0.30) ALDH1A1
SCHEMBL7070893 0.79 DHFR (0.47) TYMPALDH1A1
SCHEMBL7851616 0.78 GRIN1 (0.34) CYP3A4ALDH1A1
SCHEMBL7855251 0.78 NR3C1 (0.31) TYMP
SCHEMBL6086721 0.75 TYMP (0.37) TYMPPDE3BPDE3ANOTUMHCAR2
SCHEMBL7852074 0.75 HTT (0.30) ALDH1A1
SCHEMBL7842857 0.75 GRIN1 (0.39) ALDH1A1
SCHEMBL8582935 0.73 TYMP (0.45) TYMPPDE3BPDE3ANOTUMHCAR2
SCHEMBL501343 0.69 PDE3B (0.38) TYMPPDE3BPDE3AHCAR2CYP3A4
SCHEMBL5199337 0.69 TYMP (0.37) TYMPPDE3BPDE3AHCAR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6987114-B1 Antiviral pyrimidinedione derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD (KR) 2006-01-17 US disclosed
EP-1100786-B1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2004-07-21 EP disclosed
EP-0827498-B1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS SAMJIN PHARM CO LTD (KR) 2003-06-18 EP disclosed
EP-1100786-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-05-23 EP disclosed
EP-0736015-B1 ANTIVIRAL 2,4-PYRIMIDINDIONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2001-03-07 EP disclosed
WO-2000061564-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-10-19 WO disclosed
WO-2000061563-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-10-19 WO disclosed
US-5922727-A 1-((SUBSTITUTED)CYCLOALK(EN)YLALKYL)-6-((SUB)PHENYL(CARBONYL, SULFIDE, OR OXO))-2,4-PYRIMIDINEDIONE DERIVATIVES HAVING SUPERIOR ANTIVIRAL ACTIVITIES; HIV SAMJIN PHARMACEUTICAL CO., LTD (KR) 1999-07-13 US disclosed
US-5747500-A VIRICIDES FOR AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1998-05-05 US disclosed
EP-0827498-A1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS Samjin Pharmaceutical Co., Ltd. (KR) 1998-03-11 EP disclosed
WO-1997030979-A1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1997-08-28 WO disclosed
EP-0736015-A1 NOVEL ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-10-09 EP disclosed
WO-1995018109-A1 NOVEL ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-07-06 WO disclosed