SCHEMBL7753973

SCHEMBL7753973

CCc1c(C(=O)c2cc(C)cc(C)c2)n(CC=CCOC)c(=O)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
TK1 P04183 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
TK2 O00142 1/20 0.31
ALDH1A1 P00352 1/20 0.30
BRD4 O60885 1/20 0.30
BRD2 P25440 1/20 0.30
BRD3 Q15059 1/20 0.30
BRDT Q58F21 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
SCHEMBL7758889 0.89 TK1 (0.39) MEN1KMT2ATDP1TK1SMN1; SMN2
SCHEMBL7758892 0.89 TK1 (0.39) MEN1KMT2ATDP1TK1SMN1; SMN2
SCHEMBL7759929 0.89 KMT2A (0.36) MEN1KMT2ATDP1TK1SMN1; SMN2
SCHEMBL7759930 0.89 KMT2A (0.36) MEN1KMT2ATDP1TK1SMN1; SMN2
SCHEMBL7758323 0.88 KMT2A (0.36) MEN1KMT2ATDP1TK1SMN1; SMN2
SCHEMBL7758326 0.88 KMT2A (0.36) MEN1KMT2ATDP1TK1SMN1; SMN2
SCHEMBL7758312 0.87 KMT2A (0.35) MEN1KMT2ATDP1TK1SMN1; SMN2
SCHEMBL7758318 0.87 KMT2A (0.35) MEN1KMT2ATDP1TK1SMN1; SMN2
SCHEMBL7757663 0.86 KMT2A (0.36) MEN1KMT2ATDP1TK1SMN1; SMN2
SCHEMBL7757655 0.86 KMT2A (0.36) MEN1KMT2ATDP1TK1SMN1; SMN2

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