SCHEMBL7759903

SCHEMBL7759903

COC(=O)C=CCn1c(Sc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADORA3 P0DMS8 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
SCHEMBL7759949 0.85 MEN1 (0.35) TNFMEN1KMT2ATDP1ADORA3
SCHEMBL7757690 0.84 ALDH1A1 (0.36) TNFMEN1KMT2A
SCHEMBL7757687 0.84 ALDH1A1 (0.36) TNFMEN1KMT2A
SCHEMBL7757649 0.83 PKM (0.31)
SCHEMBL7757644 0.83 PKM (0.31)
SCHEMBL7758886 0.81 TNF (0.34) TNFMEN1KMT2ATDP1ADORA3
SCHEMBL7759896 0.81 MEN1 (0.37) TNFMEN1KMT2ATDP1ADORA3
SCHEMBL7758839 0.79 TP53 (0.37) KMT2A
SCHEMBL7758841 0.79 TP53 (0.37) KMT2A
SCHEMBL6086546 0.76 TPH1 (0.34) MEN1KMT2A

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