SCHEMBL7759912

SCHEMBL7759912

Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2CC#Cc2ccccc2)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.34
DAO P14920 2/20 0.33
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
GRIN1 Q05586 3/20 0.32
ALDH1A1 P00352 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
HTR2A P28223 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
SCHEMBL7757636 0.86 PKM (0.30)
SCHEMBL7758785 0.84 NOX4 (0.35) NOX4POLBHPGDGRIN1ALDH1A1
SCHEMBL6086605 0.83 HPGD (0.42) HPGDALDH1A1
SCHEMBL7756623 0.80 DAO (0.36) NOX4DAOPOLBHPGDGRIN1
SCHEMBL7758262 0.80 NOX4 (0.34) NOX4DAOHPGDGRIN1ALDH1A1
SCHEMBL7753910 0.79 NOX4 (0.34) NOX4DAOPOLBHPGDGRIN1
SCHEMBL6087689 0.78 GRIN1 (0.40) DAOGRIN1
SCHEMBL7758839 0.78 TP53 (0.37) POLBHPGDALDH1A1
SCHEMBL7758841 0.78 TP53 (0.37) POLBHPGDALDH1A1
SCHEMBL6086546 0.77 TPH1 (0.34) DAOPOLBHPGDGRIN1ALDH1A1

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
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