SCHEMBL7759953

SCHEMBL7759953

CCc1c(C(=O)c2cc(C)cc(C)c2)n(CC#Cc2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.35
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 2/20 0.33
GRIN1 Q05586 2/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADORA2B P29275 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GRIA2 P42262 2/20 0.32
GRIK2 Q13002 2/20 0.32
GRIK3 Q13003 2/20 0.32
GRIK1 P39086 1/20 0.32
GRIK5 Q16478 1/20 0.32
MAT2A P31153 1/20 0.32
DHODH Q02127 1/20 0.32
DAO P14920 1/20 0.32
VCP P55072 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
SCHEMBL7753910 0.86 NOX4 (0.34) NOX4LMNAMAPK1RAB9AKMT2A
SCHEMBL7753931 0.86 KMT2A (0.37) LMNAKMT2AMEN1TDP1ALDH1A1
SCHEMBL6087483 0.82 MEN1 (0.43) MAPK1KMT2AMEN1ALDH1A1
SCHEMBL7758821 0.81 KMT2A (0.37) LMNAKMT2AMEN1TDP1ADORA2B
SCHEMBL7753945 0.80 NOX4 (0.35) NOX4MAPK1KMT2AGRIN1MEN1
SCHEMBL12752168 0.79 KMT2A (0.40) LMNAKMT2AMEN1TDP1ALDH1A1
SCHEMBL7753948 0.79 NOX4 (0.35) NOX4MAPK1KMT2AGRIN1MEN1
SCHEMBL7758785 0.79 NOX4 (0.35) NOX4MAPK1KMT2AGRIN1MEN1
SCHEMBL8073601 0.78 ALDH1A1 (0.51) LMNAMAPK1RAB9AKMT2AMEN1
SCHEMBL6086960 0.78 IDH1 (0.42) 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 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