SCHEMBL7753945

SCHEMBL7753945

CCc1c(Cc2cc(C)cc(C)c2)n(CC#Cc2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.35
DAO P14920 4/20 0.34
GRIN1 Q05586 3/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 2/20 0.33
IDH1 O75874 2/20 0.33
MAPK1 P28482 1/20 0.33
PSMD14 O00487 1/20 0.33
HTT P42858 1/20 0.33
NR3C1 P04150 1/20 0.32

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
SCHEMBL7756711 0.85 SMN1; SMN2 (0.36) DAOKDM4EALDH1A1HPGDIDH1
SCHEMBL7756623 0.84 DAO (0.36) NOX4DAOGRIN1KDM4EALDH1A1
SCHEMBL7757627 0.81 SMN1; SMN2 (0.36) DAOKDM4EALDH1A1HPGDIDH1
SCHEMBL7759953 0.80 NOX4 (0.35) NOX4DAOGRIN1ALDH1A1MEN1
SCHEMBL7758785 0.80 NOX4 (0.35) NOX4GRIN1KDM4EALDH1A1MEN1
SCHEMBL7753948 0.80 NOX4 (0.35) NOX4DAOGRIN1ALDH1A1MEN1
SCHEMBL7758263 0.77 TP53 (0.36) DAOKDM4EALDH1A1MEN1KMT2A
SCHEMBL7758268 0.77 TP53 (0.36) DAOKDM4EALDH1A1MEN1KMT2A
SCHEMBL7757624 0.74 SMN1; SMN2 (0.39) KDM4EALDH1A1KMT2AHPGDTSHR
SCHEMBL2107018 0.74 SMN1; SMN2 (0.36) DAOKDM4EALDH1A1MEN1KMT2A

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