SCHEMBL9901566

SCHEMBL9901566

CCCCCCCCCCCCS(=O)(=O)n1c2ccccc2c2cc3cc4c(cc3cc21)c1ccccc1n4S(=O)(=O)CCCCCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.46
PSEN1 P49768 5/20 0.41
PSEN2 P49810 5/20 0.41
APH1B Q8WW43 5/20 0.41
NCSTN Q92542 5/20 0.41
APH1A Q96BI3 5/20 0.41
PSENEN Q9NZ42 5/20 0.41
CNR2 P34972 5/20 0.39
AGTR1 P30556 1/20 0.39
RORA P35398 2/20 0.38
RORC P51449 2/20 0.38
RORB Q92753 2/20 0.38
PGR P06401 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL9901174 0.93 HTR6 (0.49) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL9901332 0.73 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL644925 0.69 CYP1A2 (0.49) HTR6
SCHEMBL18668330 0.68 HTR6 (0.37) HTR6CNR2
SCHEMBL1538024 0.67 HTR6 (0.53) HTR6
SCHEMBL24438167 0.67 HTR6 (0.60) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL29114461 0.67 HTR6 (0.60) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL3475552 0.65 HTT (0.50) HTR6
SCHEMBL3994690 0.65 ASAH1 (0.47) HTR6
SCHEMBL19986154 0.65 MAPT (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130320269-A1 PROCESS FOR THE PREPARATION OF SEMICONDUCTOR MATERIALS, COMPOUNDS AND THEIR USE THE UNIVERSITY OF MANCHESTER (GB) 2013-12-05 US disclosed
EP-2649073-A2 PROCESS FOR THE PREPARATION OF SEMICONDUCTOR MATERIALS, COMPOUNDS AND THEIR USE The University Of Manchester (GB) 2013-10-16 EP disclosed
WO-2012076886-A2 NOVEL PROCESS AND COMPOUNDS THE UNIVERSITY OF MANCHESTER (GB) 2012-06-14 WO disclosed