SCHEMBL7801967

SCHEMBL7801967

CCOc1cc(C2=NN(Cc3ccc(NC(C)=O)cc3)C(=O)SC2CC)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.46
PDE4A P27815 11/20 0.46
PDE4B Q07343 11/20 0.46
PDE4C Q08493 11/20 0.46
SSTR5 P35346 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
RORC P51449 1/20 0.40
ABCB1 P08183 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCR5 P51681 1/20 0.39

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
SCHEMBL7801954 0.95 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL7802698 0.94 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL7798506 0.93 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL7798592 0.93 PDE4D (0.46) PDE4DPDE4APDE4BPDE4C
SCHEMBL7792850 0.93 PDE4D (0.46) PDE4DPDE4APDE4BPDE4C
SCHEMBL7800745 0.92 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL7798509 0.92 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL7798643 0.92 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL7802160 0.92 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL7802751 0.91 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CLMNA

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