SCHEMBL5199337

SCHEMBL5199337

Cc1cc(C)cc(Cc2[nH]c(=O)[nH]c(=O)c2C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.37
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
IDH1 O75874 1/20 0.34
HPGD P15428 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
PDE5A O76074 1/20 0.31
PDE9A O76083 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
NR3C1 P04150 1/20 0.31
KDM4A O75164 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL1287916 0.79 TYMP (0.47) TYMPHPGDMAPTALDH1A1HTT
SCHEMBL5197709 0.76 TYMP (0.38) TYMPPDE3BPDE3AIDH1HPGD
SCHEMBL20886374 0.72 KDM4E (0.37) TYMPPDE3BPDE3AHCAR2MAPT
SCHEMBL6641589 0.71 MAPK8 (0.39) TYMPHPGDMAPTALDH1A1KMT2A
SCHEMBL7674381 0.69 DAO (0.43) TYMPHPGDHCAR2MAPTALDH1A1
SCHEMBL6086504 0.69 TYMP (0.37) TYMPPDE3BPDE3AHCAR2ALDH1A1
SCHEMBL501343 0.69 PDE3B (0.38) TYMPPDE3BPDE3AHCAR2ALDH1A1
SCHEMBL5888655 0.68 HPGD (0.34) HPGDKMT2A
SCHEMBL501939 0.68 MAPT (0.37) TYMPPDE3BPDE3AHPGDHCAR2
SCHEMBL3925934 0.67 PDE3B (0.30) PDE3BPDE3A

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 9 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-2003057677-A1 ANTI-RETROVIRAL 5,6-DISUBSTITUTED ACYCLOPYRIMIDINE NUCLEOSIDE DERIVATIVES SYDDANSK UNIVERSITET (DK) 2003-07-17 WO disclosed
WO-2002060880-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF UNIVERSITE DE GENEVE (CH) 2002-08-08 WO 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
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