SCHEMBL7450465

SCHEMBL7450465

CCC(CNS(=O)(=O)c1ccccc1)c1cc(O)c(C(c2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2)C2CC2)c(=O)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATIC P31939 1/20 0.38
PGAM1 P18669 1/20 0.36
BRPF1 P55201 3/20 0.36
LSS P48449 1/20 0.36
SMARCA2 P51531 1/20 0.36
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
GPR27 Q9NS67 2/20 0.34
AVPR2 P30518 1/20 0.34
BRD4 O60885 1/20 0.34
EEF2K O00418 1/20 0.34
HSD11B1 P28845 2/20 0.34
PARP1 P09874 1/20 0.34
CYP19A1 P11511 1/20 0.34
IDO1 P14902 1/20 0.34
AR P10275 1/20 0.34
BRD1 O95696 1/20 0.34
BRPF3 Q9ULD4 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL7443310 0.93 POLB (0.36)
SCHEMBL6174297 0.92 PGAM1 (0.38) ATICPGAM1BRPF1LSSSMARCA2
SCHEMBL7442097 0.90 ATM (0.37) HSD17B2
SCHEMBL7437644 0.90 EEF2K (0.41) ATICPGAM1BRPF1LSSSMARCA2
SCHEMBL7444008 0.89 MAPT (0.37) PGAM1OPRM1OPRD1
SCHEMBL7444945 0.87 TBXAS1 (0.42)
SCHEMBL7400129 0.87 ATIC (0.40) ATICPGAM1BRPF1HSD17B1HSD17B2
Ethane SCHEMBL7482696 0.87 ATIC (0.39) ATICPGAM1BRPF1LSSSMARCA2
SCHEMBL7406005 0.86 ATIC (0.35) ATICPGAM1BRPF1SMARCA2HSD17B1
SCHEMBL7442256 0.86 POLB (0.40)

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-0668860-B1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES UPJOHN CO (US) 2002-09-11 EP claimed
WO-1994011361-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1994-05-26 WO claimed
EP-1203770-A1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases PHARMACIA & UPJOHN COMPANY (US) 2002-05-08 EP disclosed
WO-1994011361-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1994-05-26 WO disclosed