SCHEMBL7758889

SCHEMBL7758889

CCc1c(C(=O)c2cc(C)cc(C)c2)n(C/C=C/COC(C)=O)c(=O)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL7758892 1.00 TK1 (0.39) TK1MEN1KMT2ATDP1ALDH1A1
SCHEMBL7753973 0.89 MEN1 (0.40) TK1MEN1KMT2ATDP1ALDH1A1
SCHEMBL7759929 0.87 KMT2A (0.36) TK1MEN1KMT2ATDP1ALDH1A1
SCHEMBL7759930 0.87 KMT2A (0.36) TK1MEN1KMT2ATDP1ALDH1A1
SCHEMBL7758323 0.86 KMT2A (0.36) TK1MEN1KMT2ATDP1ALDH1A1
SCHEMBL7758326 0.86 KMT2A (0.36) TK1MEN1KMT2ATDP1ALDH1A1
SCHEMBL7757679 0.86 TK1 (0.37) TK1MEN1KMT2ATDP1
SCHEMBL7757684 0.86 TK1 (0.37) TK1MEN1KMT2ATDP1
SCHEMBL7758312 0.85 KMT2A (0.35) TK1MEN1KMT2ATDP1ALDH1A1
SCHEMBL7758318 0.85 KMT2A (0.35) TK1MEN1KMT2ATDP1ALDH1A1

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