SCHEMBL1129404

SCHEMBL1129404

SCCc1cccc(CCS)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.52
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
CXCR4 P61073 2/20 0.34
BACE1 P56817 2/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
FOLH1 Q04609 1/20 0.31
NOS3 P29474 1/20 0.30

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
SCHEMBL7980764 0.85 NOS1 (0.48) KCNH2NOS1NOS2BACE1NOS3
SCHEMBL12144269 0.84 NOS2 (0.46) KCNH2NOS1NOS2NPSR1NOS3
SCHEMBL7561077 0.77 KCNH2 (0.44) KCNH2NOS1NOS2NPSR1PGK1
SCHEMBL21323661 0.74 ADORA2A (0.38) KCNH2NOS1NOS2
SCHEMBL4273309 0.72 KCNH2 (0.52) KCNH2NOS1NOS2NPSR1PGK1
SCHEMBL522064 0.72 HRH1 (0.56) KCNH2NOS1NOS2NPSR1PGK1
SCHEMBL2522650 0.72 KCNH2 (0.67) KCNH2NOS1NOS2NPSR1PGK1
SCHEMBL5025561 0.72 PDE10A (0.50) NOS2BACE1
SCHEMBL522349 0.72 KCNH2 (0.48) KCNH2NOS1NOS2NPSR1NOS3
SCHEMBL29673356 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8932976-B2 Preparation of catalyst for bisphenols production DOW GLOBAL TECHNOLOGIES LLC (US) 2015-01-13 US disclosed
EP-2158040-B1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES INC (US) 2011-02-16 EP disclosed
US-20100152028-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES LLC 2010-06-17 US disclosed
EP-2158040-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION Dow Global Technologies Inc. (US) 2010-03-03 EP disclosed
WO-2008157025-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES INC. (US) 2008-12-24 WO disclosed