SCHEMBL7445646

SCHEMBL7445646

CCc1ccccc1S(=O)(=O)NCc1cc(O)c(C(c2cccc(NS(=O)(=O)/C=C/c3ccccc3)c2)C2CC2)c(=O)o1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
POLB P06746 3/20 0.35
LMNA P02545 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.34
GHSR Q92847 1/20 0.33
TYMS P04818 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.31
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30

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 0.88 ALOX12 (0.37) ALDH1A1POLBGAAALOX15TSHR
SCHEMBL7445966 0.85 TACR1 (0.34) ALDH1A1POLBKMT2AMAPT
SCHEMBL7450441 0.84 ALOX12 (0.39) ALDH1A1LMNAKMT2AMEN1
SCHEMBL7437309 0.83 ALOX12 (0.36) ALDH1A1LMNATDP1MAPT
SCHEMBL7448162 0.83 HSP90AA1 (0.39) ALDH1A1POLBLMNAKMT2AMEN1
SCHEMBL7432825 0.83 NAMPT (0.38) KMT2AGAA
SCHEMBL7437636 0.82 ATIC (0.36)
SCHEMBL7444159 0.82 PDE4B (0.42) ALDH1A1LMNAKMT2AMEN1GAA
SCHEMBL7445652 0.81 ALDH1A1 (0.37) ALDH1A1POLBLMNAKMT2AMEN1
SCHEMBL6173717 0.79 ALDH1A1 (0.37) ALDH1A1POLBLMNAKMT2AMEN1

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