SCHEMBL7445652

SCHEMBL7445652

CCN(Cc1cc(O)c(C(c2cccc(NS(=O)(=O)C=Cc3ccccc3)c2)C2CC2)c(=O)o1)S(=O)(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.37
LMNA P02545 7/20 0.37
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.35
POLB P06746 3/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.32
TYMS P04818 1/20 0.32
GHSR Q92847 1/20 0.32
MAPK1 P28482 1/20 0.32
PKM P14618 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
SCHEMBL7441056 0.89 ALDH1A1 (0.40) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL7450446 0.85 ALDH1A1 (0.42) ALDH1A1LMNAKMT2AMEN1GAA
SCHEMBL7445970 0.84 ALDH1A1 (0.37) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL7437314 0.84 ALDH1A1 (0.38) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL7432830 0.84 PTGER2 (0.37) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL7437641 0.83 LMNA (0.38) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL7448164 0.82 ALDH1A1 (0.40) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL7445404 0.82 PARP1 (0.37) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL7445646 0.81 ALDH1A1 (0.35) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL7444165 0.81 PDE4B (0.40) ALDH1A1LMNAKMT2AMEN1GAA

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