SCHEMBL7798765

SCHEMBL7798765

COc1ccc(C2=NN(Cc3ccc(C(=O)NC4CCCC4)cc3)C(=O)SC2)cc1OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 2/20 0.49
PDE4A P27815 9/20 0.48
PDE4B Q07343 8/20 0.48
PDE4C Q08493 8/20 0.48
PDE4D Q08499 8/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL7793007 0.94 PDE4B (0.53) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL7801997 0.90 PDE4B (0.47) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL6657114 0.88 PDE4B (0.56) MEN1KMT2APOLBPDE4APDE4B
SCHEMBL7798507 0.86 NPC1 (0.48) MEN1KMT2APOLBPDE4APDE4B
SCHEMBL7802771 0.85 PDE4B (0.55) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL7801784 0.85 PDE4A (0.53) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL7802859 0.85 PDE4A (0.49) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL27592843 0.85 PDE4A (0.51) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL7798476 0.85 PDE4A (0.49) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL7801812 0.85 PDE4A (0.52) MEN1KMT2APOLBPDE4APDE4B

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