SCHEMBL7770338

SCHEMBL7770338

COc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc(COS(C)(=O)=O)n3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.43
SYK P43405 11/20 0.42
AURKB Q96GD4 2/20 0.41
INCENP Q9NQS7 2/20 0.41
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE10A Q9Y233 1/20 0.39
LTB4R Q15722 1/20 0.39
ADORA3 P0DMS8 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
SCHEMBL8600138 0.92 PDE10A (0.41) SYKNPC1RAB9APDE10ALTB4R
SCHEMBL7770337 0.85 ADORA3 (0.43) FFAR1SYKAURKBINCENPNPC1
SCHEMBL2082694 0.84 KDM4E (0.49) FFAR1NPC1HSP90AA1PKMRAB9A
SCHEMBL7772129 0.82 SYK (0.46) FFAR1SYKAURKBINCENPNPC1
SCHEMBL7771784 0.82 HSP90AA1 (0.45) FFAR1SYKAURKBINCENPNPC1
SCHEMBL7454751 0.80 NPC1 (0.57) FFAR1SYKNPC1HSP90AA1PKM
SCHEMBL31260432 0.80 NPC1 (0.57) FFAR1SYKNPC1HSP90AA1PKM
SCHEMBL8597039 0.78 MEN1 (0.44) SYKAURKBINCENPNPC1HSP90AA1
SCHEMBL8935757 0.77 ADORA3 (0.43) NPC1HSP90AA1RAB9APDE10ALTB4R
SCHEMBL7766604 0.76 NPC1 (0.51) FFAR1SYKNPC1HSP90AA1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248870-B1 OLIGO-2,6-PYRIMIDINE COMPLEXING AGENT. NYCOMED IMAGING AS (NO) 2001-06-19 US disclosed
US-5817774-A Unsymmetrical complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions and methods STERLING WINTHROP INCORPORATION (US) 1998-10-06 US disclosed
US-5559214-A Unsymmetrical complexing agents and targeting immunoreagents useful in thearpeutic and diagnostic compositions and methods STERLING WINTHROP INC. (US) 1996-09-24 US disclosed