SCHEMBL5197218

SCHEMBL5197218

CCc1c(Cc2ccccc2)[nH]c(=O)[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.57
NR3C1 P04150 7/20 0.47
NR3C2 P08235 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DAO P14920 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
PDE10A Q9Y233 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
SCHEMBL21331828 0.84 ALDH1A1 (0.49) TYMPSMN1; SMN2ALDH1A1KDM4ECYP2C9
SCHEMBL1443962 0.79 TYMP (0.46) TYMPNR3C1NR3C2SMN1; SMN2ALDH1A1
SCHEMBL5197709 0.79 TYMP (0.38) TYMPNR3C1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9138375 0.77 TYMP (0.40) TYMPNR3C1SMN1; SMN2DAOALDH1A1
SCHEMBL21331827 0.76 SMN1; SMN2 (0.46) TYMPNR3C1SMN1; SMN2DAOALDH1A1
SCHEMBL7255104 0.76 ALDH1A1 (0.67) TYMPNR3C1DAOALDH1A1
SCHEMBL20828256 0.76 TYMP (0.65) TYMPNR3C1NR3C2SMN1; SMN2DAO
SCHEMBL27711724 0.76 TYMP (0.51) TYMPNR3C1NR3C2DAOALDH1A1
SCHEMBL27711723 0.76 TYMP (0.51) TYMPNR3C1NR3C2DAOALDH1A1
SCHEMBL1287916 0.75 TYMP (0.47) TYMPNR3C1NR3C2DAOALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355887-B1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF UNIV GENEVE (CH) 2007-08-15 EP disclosed
US-6911450-B1 Pyrimidine acyclonucleoside derivatives, preparation method and use thereof UNIVERSITE DE GENEVE (CH) 2005-06-28 US disclosed
EP-1355887-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF UNIVERSITE DE GENEVE (CH) 2003-10-29 EP disclosed
WO-2002060880-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF UNIVERSITE DE GENEVE (CH) 2002-08-08 WO disclosed
EP-1169310-A1 PROCESS FOR PREPARING MKC-442 Triangle Pharmaceuticals Inc. (US) 2002-01-09 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-2000061566-A1 PROCESS FOR PREPARING MKC-442 TRIANGLE PHARMACEUTICALS, INC. (US) 2000-10-19 WO disclosed
US-5747500-A VIRICIDES FOR AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1998-05-05 US 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