SCHEMBL9901174

SCHEMBL9901174

CCCCCCCCCCCCS(=O)(=O)n1c2ccccc2c2cc3c(cc21)c1ccccc1n3S(=O)(=O)CCCCCCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.49
PSEN1 P49768 5/20 0.43
PSEN2 P49810 5/20 0.43
APH1B Q8WW43 5/20 0.43
NCSTN Q92542 5/20 0.43
APH1A Q96BI3 5/20 0.43
PSENEN Q9NZ42 5/20 0.43
CNR2 P34972 4/20 0.41
AGTR1 P30556 1/20 0.41
RORA P35398 2/20 0.40
RORC P51449 2/20 0.40
RORB Q92753 2/20 0.40
PGR P06401 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL9901566 0.93 HTR6 (0.46) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL14107129 0.70 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9905344 0.70 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9976723 0.70 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL551644 0.70 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL644925 0.70 CYP1A2 (0.49) HTR6
SCHEMBL24438167 0.70 HTR6 (0.60) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL29114461 0.70 HTR6 (0.60) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL554428 0.68 CNR2 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3475552 0.68 HTT (0.50) HTR6

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