SCHEMBL2886196

SCHEMBL2886196

Brc1ccc2[c]s[c]c2c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.33
ALOX15 P16050 1/20 0.32
AHR P35869 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HSP90AA1 P07900 1/20 0.31
TLR9 Q9NR96 1/20 0.31
S100A4 P26447 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL2885800 0.72 TP53 (0.38) CYP2A6ALOX15AHRALDH1A1S100A4
SCHEMBL5537762 0.65 CYP2A6 (0.38) CYP2A6AHRALDH1A1KDM4EMEN1
SCHEMBL5543321 0.65 CYP2A6 (0.38) CYP2A6AHRALDH1A1HSP90AA1KDM4E
SCHEMBL20162082 0.63 CYP2A6 (0.37) CYP2A6ALOX15AHRALDH1A1HSP90AA1
SCHEMBL207512 0.61 CYP2A6 (0.35) CYP2A6
SCHEMBL206337 0.61 CYP2A6 (0.35) CYP2A6HSP90AA1
SCHEMBL208666 0.59 CYP2A6 (0.31) CYP2A6HSP90AA1
SCHEMBL209851 0.59 NPC1 (0.31) ALDH1A1MAPT
SCHEMBL5540484 0.58 RAB9A (0.32) ALDH1A1HSP90AA1MAPK1MAPT
SCHEMBL646094 0.56 CYP2A6 (0.48) CYP2A6AHRALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1728256-B1 CROSSLINKED SELF-DOPING TYPE ELECTRICALLY CONDUCTING POLYMER, PRODUCTION PROCESS THEREOF, PRODUCT COATED WITH THE POLYMER AND ELECTRONIC DEVICE SHOWA DENKO KK (JP) 2015-05-13 EP disclosed
US-7857999-B2 Crosslinked self-doping type electrically conducting polymer, production process thereof, product coated with the polymer and electronic device SHOWA DENKO K.K. (JP) 2010-12-28 US disclosed
EP-2207185-A1 Crosslinked self-doping type electrically conducting polymer, production process thereof, product coated with the polymer and electronic device SHOWA DENKO KABUSHIKI KAISHA (JP) 2010-07-14 EP disclosed
US-20100103590-A1 SOLID ELECTROLYTIC CAPACITOR AND PRODUCTION METHOD THEREOF SHOWA DENKO K.K. (JP) 2010-04-29 US disclosed
US-20100026177-A1 CROSSLINKED SELF-DOPING TYPE ELECTRICALLY CONDUCTING POLYMER, PRODUCTION PROCESS THEREOF, PRODUCT COATED WITH THE POLYMER AND ELECTRONIC DEVICE SHOWA DENKO K.K. (JP) 2010-02-04 US disclosed
US-7638071-B2 Crosslinked self-doping type electrically conducting polymer, production process thereof, product coated with the polymer and electronic device SHOWA DENKO K.K. (JP) 2009-12-29 US disclosed
US-20070194285-A1 Crosslinked Self-Doping Type Electrically Conducting Polymer, Production Process Thereof, Product Coated With The Polymer And Electronic Device SHOWA DENKO K.K. (JP) 2007-08-23 US disclosed