SCHEMBL2795698

SCHEMBL2795698

CCCCCc1ccsc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.39
TYR P14679 2/20 0.38
ALOX5 P09917 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
GPR35 Q9HC97 1/20 0.36
PTGS2 P35354 2/20 0.35
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34

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
SCHEMBL2145395 0.98 LIPG (0.42) LIPGTYRALOX5TP53CYP3A4
SCHEMBL5170070 0.98 LIPG (0.42) LIPGTYRALOX5TP53CYP3A4
SCHEMBL198675 0.98 LIPG (0.42) LIPGTYRALOX5TP53CYP3A4
SCHEMBL5147986 0.98 LIPG (0.42) LIPGTYRALOX5TP53CYP3A4
SCHEMBL19304410 0.98 LIPG (0.42) LIPGTYRALOX5TP53CYP3A4
SCHEMBL329220 0.98 LIPG (0.42) LIPGTYRALOX5TP53CYP3A4
SCHEMBL20338197 0.98 LIPG (0.42) LIPGTYRALOX5TP53CYP3A4
SCHEMBL1225175 0.98 LIPG (0.42) LIPGTYRALOX5TP53CYP3A4
SCHEMBL4170722 0.94 TYR (0.37) LIPGTYRALOX5TP53CYP3A4
Cyanide SCHEMBL27546696 0.89 TYR (0.34) LIPGTYRMEN1MAPTALOX15

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
CN-114605618-B Method for regulating and controlling regional regularity of polythiophene derivative, and product and application thereof 天津大学 2023-10-27 CN disclosed
CN-102161816-B Method for preparing polythiophene-carbon nano tube composite photoconductive film material by click chemistry UNIV TONGJI 2012-12-05 CN disclosed
CN-102161816-A Method for preparing polythiophene-carbon nano tube composite photoconductive film material by click chemistry UNIV TONGJI 2011-08-24 CN disclosed
US-7767785-B2 Conjugated polymers, their preparation and use thereof MERCK PATENT GMBH (DE) 2010-08-03 US disclosed
US-20090014690-A1 Conjugated polymers, their preparation and use thereof MERCK PATENT GMBH (DE) 2009-01-15 US disclosed