SCHEMBL3907676

SCHEMBL3907676

CCCS(=O)(=O)NC1CNCCN1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL3915835 0.74 KCNH2 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17277524 0.72 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1429807 0.71 MEN1 (0.32)
SCHEMBL13102865 0.69 GNAI3 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4973359 0.68 KCNH2 (0.36)
SCHEMBL4173882 0.67
SCHEMBL17582301 0.65 MEN1 (0.36)
SCHEMBL1679032 0.65 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29184807 0.64 GNAI3 (0.32)
SCHEMBL24752798 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2016075-A1 THIAZOLE DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS AstraZeneca AB (SE) 2009-01-21 EP disclosed
WO-2007129044-A1 THIAZOLE DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed