SCHEMBL7758260

SCHEMBL7758260

C#CCn1c(Oc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DRD1 P21728 3/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6087044 0.82 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6087042 0.81 SMN1; SMN2 (0.36) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7037489 0.81 SMN1; SMN2 (0.36) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7753948 0.81 NOX4 (0.35) SMN1; SMN2ALDH1A1HPGDDRD1ADORA3
SCHEMBL6087276 0.81 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2466620 0.80 GRIN1 (0.43) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6086864 0.80 HPGD (0.44) KDM4EALDH1A1HPGDHSD17B10ADORA3
SCHEMBL7758804 0.80 SMN1; SMN2 (0.35) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7759888 0.80 SMN1; SMN2 (0.35) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7756725 0.80 SMN1; SMN2 (0.35) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10

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