SCHEMBL7792987

SCHEMBL7792987

CCC1SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)N=C1c1ccc(OC(F)F)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 17/20 0.42
PDE4B Q07343 12/20 0.42
PDE4A P27815 11/20 0.42
PDE4C Q08493 11/20 0.42
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7798794 0.97 PDE4D (0.42) PDE4DPDE4BPDE4APDE4C
SCHEMBL6660164 0.92 PDE4D (0.48) PDE4DPDE4BPDE4APDE4C
SCHEMBL7802012 0.90 PDE4D (0.43) PDE4DPDE4BPDE4APDE4C
SCHEMBL7792856 0.89 PDE4D (0.45) PDE4DPDE4BPDE4APDE4C
SCHEMBL7801952 0.88 PDE4D (0.42) PDE4DPDE4BPDE4APDE4C
SCHEMBL6973211 0.88 PDE4D (0.44) PDE4DPDE4BPDE4APDE4C
SCHEMBL7801828 0.87 PDE4D (0.43) PDE4DPDE4BPDE4APDE4C
SCHEMBL7798542 0.87 PDE4D (0.45) PDE4DPDE4BPDE4APDE4C
SCHEMBL7801799 0.87 PDE4D (0.42) PDE4DPDE4BPDE4APDE4C
SCHEMBL7798789 0.86 PDE4D (0.44) PDE4DPDE4BPDE4APDE4CALDH1A1

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-0723962-B1 Arylalkyl-thiadiazinones MERCK PATENT GMBH (DE) 2001-07-04 EP disclosed
US-6025354-A Arylalkyl-thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-02-15 US disclosed
US-5747489-A Arylalkyl-thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-05 US disclosed
EP-0723962-A1 Arylalkyl-thiadiazinones MERCK PATENT GmbH (DE) 1996-07-31 EP disclosed