SCHEMBL7437641

SCHEMBL7437641

CCN(Cc1cc(O)c(C(c2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2)C2CC2)c(=O)o1)S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATIC P31939 1/20 0.36
BRPF1 P55201 1/20 0.34
BRD4 O60885 1/20 0.34
SMARCA2 P51531 1/20 0.34
PARP1 P09874 1/20 0.34
RORC P51449 1/20 0.34
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
PTGES O14684 1/20 0.33
PGAM1 P18669 1/20 0.33
GPR27 Q9NS67 2/20 0.33

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
SCHEMBL7441056 0.94 ALDH1A1 (0.40) LMNASMN1; SMN2POLBALDH1A1HTT
SCHEMBL7450446 0.91 ALDH1A1 (0.42) LMNASMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL7437314 0.90 ALDH1A1 (0.38) LMNASMN1; SMN2POLBALDH1A1HTT
SCHEMBL7432830 0.87 PTGER2 (0.37) LMNASMN1; SMN2ALDH1A1HTTMAPT
Ethane SCHEMBL7482696 0.87 ATIC (0.39) POLBATICBRPF1BRD4SMARCA2
SCHEMBL7448164 0.84 ALDH1A1 (0.40) LMNAALDH1A1HTTMAPTMEN1
SCHEMBL7445404 0.84 PARP1 (0.37) LMNASMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL7445970 0.83 ALDH1A1 (0.37) LMNASMN1; SMN2POLBALDH1A1HTT
SCHEMBL7445652 0.83 ALDH1A1 (0.37) LMNASMN1; SMN2POLBALDH1A1HTT
SCHEMBL7437644 0.83 EEF2K (0.41) ATICBRPF1BRD4SMARCA2PARP1

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