SCHEMBL6961901

SCHEMBL6961901

COc1ccc(C2=NN(CCc3ccc(N)cc3)C(=O)SC2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.48
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP19A1 P11511 1/20 0.46
PDE4D Q08499 5/20 0.46
PDE4A P27815 4/20 0.46
PDE4C Q08493 4/20 0.46
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
PAX8 Q06710 1/20 0.46
MET P08581 1/20 0.44

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
SCHEMBL6967895 0.89 PDE4B (0.55) PDE4BLMNATSHRMAPK1HTT
SCHEMBL7801804 0.86 PDE4B (0.50) PDE4BLMNATSHRMAPK1HTT
SCHEMBL7802881 0.86 MAPT (0.49) PDE4BLMNATSHRMAPK1HTT
SCHEMBL7792970 0.84 CYP1A2 (0.55) PDE4BLMNATSHRMAPK1HTT
SCHEMBL7798666 0.84 PDE4B (0.54) PDE4BLMNATSHRMAPK1HTT
SCHEMBL7802868 0.84 PDE4B (0.46) PDE4BLMNATSHRMAPK1HTT
SCHEMBL6656328 0.84 PDE4B (0.68) PDE4BLMNACYP19A1PDE4DPDE4A
SCHEMBL7800571 0.83 PDE4B (0.51) PDE4BLMNATSHRMAPK1HTT
SCHEMBL7802152 0.83 PDE4B (0.49) PDE4BLMNATSHRMAPK1HTT
SCHEMBL7798680 0.83 PDE4B (0.49) PDE4BLMNATSHRMAPK1HTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
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-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US disclosed
US-5747489-A Arylalkyl-thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-05 US disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 EP disclosed
EP-0723962-A1 Arylalkyl-thiadiazinones MERCK PATENT GmbH (DE) 1996-07-31 EP disclosed