SCHEMBL371994

SCHEMBL371994

CCCCCCCCCCCCc1ccsc1-c1nc2sc(-c3sccc3CCCCCCCCCCCC)nc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
GPR35 Q9HC97 2/20 0.35
PTGS2 P35354 2/20 0.35
LIPG Q9Y5X9 1/20 0.35
TYR P14679 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
ALOX5 P09917 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TLR8 Q9NR97 1/20 0.33
RAB9A P51151 1/20 0.33
CYSLTR2 Q9NS75 2/20 0.33
CYSLTR1 Q9Y271 2/20 0.33

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
SCHEMBL15400588 1.00 KCNH2 (0.38) KCNH2GPR35PTGS2LIPGTYR
SCHEMBL10301449 1.00 KCNH2 (0.38) KCNH2GPR35PTGS2LIPGTYR
SCHEMBL586546 1.00 KCNH2 (0.38) KCNH2GPR35PTGS2LIPGTYR
SCHEMBL17676341 0.90 KCNH2 (0.31) KCNH2GPR35PTGS2HTR2A
SCHEMBL12921570 0.88 KCNH2 (0.36) KCNH2GPR35PTGS2LIPGTYR
SCHEMBL2310579 0.88 CYP3A4 (0.32) KCNH2GPR35PTGS2LIPGTYR
SCHEMBL1869994 0.88 CYP3A4 (0.32) KCNH2GPR35PTGS2LIPGTYR
SCHEMBL12921569 0.85 KCNH2 (0.33) KCNH2GPR35PTGS2LIPGTYR
SCHEMBL1108989 0.85 KCNH2 (0.33) KCNH2GPR35PTGS2LIPGTYR
SCHEMBL5949101 0.85 KCNH2 (0.33) KCNH2GPR35PTGS2LIPGTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417177-A1 OLIGOMERIC AND POLYMERIC SEMICONDUCTORS BASED ON THIENOTHIAZOLES Heraeus Precious Metals GmbH & Co. KG (DE) 2012-02-15 EP disclosed
EP-2410002-A1 COMPOUND AND ELEMENT USING SAME Sumitomo Chemical Company, Limited (JP) 2012-01-25 EP disclosed
EP-2410017-A1 COMPOSITION AND ELEMENT USING SAME Sumitomo Chemical Company, Limited (JP) 2012-01-25 EP disclosed
US-20110309350-A1 COMPOUND AND DEVICE USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20110303293-A1 COMPOSITION AND DEVICE USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-15 US disclosed
WO-2010115623-A1 OLIGOMERIC AND POLYMERIC SEMICONDUCTORS BASED ON THIENOTHIAZOLES H.C.STARCK CLEVIOS GMBH (DE) 2010-10-14 WO disclosed