SCHEMBL7753948

SCHEMBL7753948

CCc1c(Oc2cc(C)cc(C)c2)n(CC#Cc2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.35
HPGD P15428 1/20 0.32
GRIN1 Q05586 3/20 0.32
DAO P14920 1/20 0.32
DRD1 P21728 2/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TK1 P04183 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 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
SCHEMBL7758262 0.84 NOX4 (0.34) NOX4HPGDGRIN1DAOALDH1A1
SCHEMBL6086864 0.82 HPGD (0.44) HPGDALDH1A1SIRT2SIRT1ADORA3
SCHEMBL7758260 0.81 SMN1; SMN2 (0.35) HPGDDRD1ALDH1A1SMN1; SMN2ADORA3
SCHEMBL7753945 0.80 NOX4 (0.35) NOX4HPGDGRIN1DAOALDH1A1
SCHEMBL7759953 0.79 NOX4 (0.35) NOX4GRIN1DAOALDH1A1MEN1
SCHEMBL7758785 0.79 NOX4 (0.35) NOX4HPGDGRIN1ALDH1A1SMN1; SMN2
SCHEMBL8067219 0.79 ALDH1A1 (0.55) HPGDDAOALDH1A1TK1MEN1
SCHEMBL6088271 0.78 NPBWR1 (0.35) HPGDDRD1ALDH1A1SMN1; SMN2SIRT2
SCHEMBL6087014 0.78 DAO (0.46) HPGDDAOALDH1A1MEN1TSHR
SCHEMBL6087695 0.78 GRIN1 (0.44) GRIN1KMT2APOLB

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