SCHEMBL7437636

SCHEMBL7437636

CCc1ccccc1S(=O)(=O)NCc1cc(O)c(C(c2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2)C2CC2)c(=O)o1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATIC P31939 1/20 0.36
BRPF1 P55201 4/20 0.36
ALOX12 P18054 2/20 0.36
SMARCA2 P51531 1/20 0.36
PGAM1 P18669 1/20 0.35
PARP1 P09874 1/20 0.34
CYP19A1 P11511 1/20 0.34
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
BRD4 O60885 1/20 0.33
BRD1 O95696 2/20 0.33
BRPF3 Q9ULD4 1/20 0.33
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
GPR27 Q9NS67 2/20 0.32
AVPR2 P30518 1/20 0.32
HSD11B1 P28845 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
SCHEMBL7441054 0.92 ALOX12 (0.37) ALOX12
SCHEMBL7450441 0.91 ALOX12 (0.39) ALOX12PGAM1HSD17B2
Ethane SCHEMBL7482696 0.91 ATIC (0.39) ATICBRPF1ALOX12SMARCA2PGAM1
SCHEMBL7437309 0.89 ALOX12 (0.36) ALOX12PGAM1
SCHEMBL7432825 0.86 NAMPT (0.38) ALOX12PARP1HSD17B1HSD17B2BRD4
SCHEMBL7448162 0.84 HSP90AA1 (0.39) HSD11B1
Ethane SCHEMBL7480930 0.83 POLB (0.39) ALOX12
SCHEMBL7445966 0.83 TACR1 (0.34)
SCHEMBL7437641 0.82 LMNA (0.38) ATICBRPF1SMARCA2PGAM1PARP1
SCHEMBL7444159 0.82 PDE4B (0.42) BRD4

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 5 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
EP-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 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