SCHEMBL7758262

SCHEMBL7758262

Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CC#Cc2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.34
DAO P14920 3/20 0.33
HPGD P15428 1/20 0.32
GRIN1 Q05586 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
KDM5A P29375 2/20 0.31
SIGMAR1 Q99720 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
TK1 P04183 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
SCHEMBL1484944 0.86 PDE3B (0.31)
SCHEMBL7753948 0.84 NOX4 (0.35) NOX4DAOHPGDGRIN1ALDH1A1
SCHEMBL6086817 0.83 HPGD (0.43) HPGDALDH1A1KDM4ETLR7
SCHEMBL7756623 0.80 DAO (0.36) NOX4DAOHPGDGRIN1ALDH1A1
SCHEMBL7759912 0.80 NOX4 (0.34) NOX4DAOHPGDGRIN1ALDH1A1
SCHEMBL6087068 0.79 DAO (0.46) DAOHPGDALDH1A1KDM4ETLR7
SCHEMBL8071853 0.79 ALDH1A1 (0.54) DAOHPGDALDH1A1KDM4ETLR7
SCHEMBL12829055 0.79 MAOB (0.36) ALDH1A1KDM4E
SCHEMBL7753910 0.79 NOX4 (0.34) NOX4DAOHPGDGRIN1ALDH1A1
SCHEMBL6087484 0.78 GRIN1 (0.43) GRIN1

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-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
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