SCHEMBL7757627

SCHEMBL7757627

C#CCn1c(Cc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
TPH1 P17752 1/20 0.32
TPH2 Q8IWU9 1/20 0.32
DAO P14920 1/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
IDH1 O75874 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
SCHEMBL7756711 0.88 SMN1; SMN2 (0.36) SMN1; SMN2TPH1TPH2DAOHPGD
SCHEMBL7255075 0.85 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1
SCHEMBL7753945 0.81 NOX4 (0.35) DAOHPGDKDM4EALDH1A1IDH1
SCHEMBL7757624 0.80 SMN1; SMN2 (0.39) SMN1; SMN2HPGDKDM4EALDH1A1HSD17B10
SCHEMBL2107018 0.80 SMN1; SMN2 (0.36) SMN1; SMN2TPH1TPH2DAOHPGD
SCHEMBL7756600 0.79 ALDH1A1 (0.37) SMN1; SMN2TPH1TPH2DAOHPGD
SCHEMBL7756611 0.79 ALDH1A1 (0.37) SMN1; SMN2TPH1TPH2DAOHPGD
SCHEMBL7756666 0.78 TPH1 (0.37) SMN1; SMN2TPH1TPH2DAOHPGD
SCHEMBL7758260 0.77 SMN1; SMN2 (0.35) SMN1; SMN2ADORA3ADORA2BHPGDKDM4E
SCHEMBL7758222 0.77 SMN1; SMN2 (0.35) SMN1; SMN2ADORA3ADORA2BHPGDKDM4E

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 2 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