SCHEMBL7437644

SCHEMBL7437644

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 2/20 0.41
ATIC P31939 1/20 0.38
BRPF1 P55201 2/20 0.36
SMARCA2 P51531 1/20 0.36
PGAM1 P18669 1/20 0.35
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
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HSD11B1 P28845 2/20 0.34
LSS P48449 1/20 0.34
P4HB P07237 1/20 0.34
PARP1 P09874 1/20 0.34
CYP19A1 P11511 1/20 0.34
IDO1 P14902 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
SCHEMBL7441063 0.93 KCNK3 (0.36)
SCHEMBL7450449 0.90 MEN1 (0.37) HSD17B2
SCHEMBL7450465 0.90 ATIC (0.38) EEF2KATICBRPF1SMARCA2PGAM1
SCHEMBL7437319 0.89 ALDH1A1 (0.36) PGAM1
SCHEMBL6174297 0.88 PGAM1 (0.38) EEF2KATICBRPF1SMARCA2PGAM1
Ethane SCHEMBL7482696 0.85 ATIC (0.39) EEF2KATICBRPF1SMARCA2PGAM1
SCHEMBL7445975 0.85 POLB (0.38) EEF2K
SCHEMBL7448174 0.84 HSP90AA1 (0.38) HSD11B1
SCHEMBL7400129 0.84 ATIC (0.40) ATICBRPF1PGAM1HSD17B1HSD17B2
SCHEMBL7437641 0.83 LMNA (0.38) ATICBRPF1SMARCA2PGAM1HSD17B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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