SCHEMBL7449294

SCHEMBL7449294

CCC(c1cccs1)c1c(O)cc(CC2(Cc3ccsc3)CC2)oc1=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 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
SCHEMBL7481812 0.88 NQO1 (0.34) NQO1
SCHEMBL7480305 0.86
SCHEMBL7435521 0.86 NQO1 (0.31) NQO1
SCHEMBL7447160 0.85 MAPT (0.34) NQO1
SCHEMBL7445304 0.85 NQO1 (0.31) NQO1
SCHEMBL9195766 0.83 ELANE (0.36) NQO1
SCHEMBL7445249 0.80 HPGD (0.36)
SCHEMBL7435600 0.80 NQO1 (0.31) NQO1
SCHEMBL7439732 0.79 ALDH1A1 (0.36)
SCHEMBL7445490 0.79 ERCC5 (0.31) NQO1

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
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
CN-1040321-C Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating HIV and other retroviruses UPJOHN CO (US) 1998-10-21 CN disclosed