SCHEMBL7444945

SCHEMBL7444945

CCC(CNS(=O)(=O)c1ccccc1)c1cc(O)c(C(c2cccc(NS(=O)(=O)c3cccnc3)c2)C2CC2)c(=O)o1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 12/20 0.42
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
SNCA P37840 1/20 0.36

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
SCHEMBL9193460 0.94 TBXAS1 (0.38) TBXAS1NAMPTALDH1A1
SCHEMBL7443310 0.94 POLB (0.36) ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL7440280 0.92 NAMPT (0.40) TBXAS1NAMPTADRB2ADRB1ADRB3
SCHEMBL7442097 0.89 ATM (0.37) ALDH1A1KMT2A
SCHEMBL7444008 0.88 MAPT (0.37) ALDH1A1
SCHEMBL7450465 0.87 ATIC (0.38)
SCHEMBL7446449 0.87 PDE4B (0.42) ALDH1A1KMT2A
SCHEMBL7442256 0.86 POLB (0.40) TBXAS1ALDH1A1
SCHEMBL6173713 0.86 PTGES (0.38) NAMPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL7444223 0.85 ALDH1A1 (0.37) ALDH1A1KMT2A

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
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 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