SCHEMBL7445404

SCHEMBL7445404

CCN(Cc1cc(O)c(C(c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C2CC2)c(=O)o1)S(=O)(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
LMNA P02545 3/20 0.33
SSTR5 P35346 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
KMT2A Q03164 3/20 0.33
CTDSP1 Q9GZU7 1/20 0.32
MEN1 O00255 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
RORC P51449 1/20 0.32
SYK P43405 1/20 0.32
CCR2 P41597 1/20 0.32
HTR6 P50406 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) L3MBTL1KDM4ELMNAKMT2AMEN1
SCHEMBL7432830 0.86 PTGER2 (0.37) PARP1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL7444379 0.86 PARP1 (0.39) PARP1L3MBTL1KDM4EHSD17B1HSD17B2
SCHEMBL7450446 0.85 ALDH1A1 (0.42) HSD17B2LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL7437314 0.85 ALDH1A1 (0.38) L3MBTL1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL7444165 0.84 PDE4B (0.40) LMNAKMT2AMEN1GAAHTR6
SCHEMBL7437641 0.84 LMNA (0.38) PARP1HSD17B1HSD17B2LMNAKMT2A
SCHEMBL7451608 0.84 KDM4E (0.36) PARP1L3MBTL1KDM4EHSD17B1HSD17B2
SCHEMBL7448164 0.83 ALDH1A1 (0.40) L3MBTL1KDM4ELMNAKMT2AMEN1
SCHEMBL7445970 0.82 ALDH1A1 (0.37) KDM4ELMNAKMT2AMEN1SMN1; SMN2

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