SCHEMBL3201156

SCHEMBL3201156

COc1cccc([S+](c2ccccc2)c2ccccc2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA12 O43570 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA4 P22748 1/20 0.43
ORAI1 Q96D31 1/20 0.37
ORAI2 Q96SN7 1/20 0.37
ORAI3 Q9BRQ5 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TP53 P04637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 2/20 0.36
ADRA2B P18089 1/20 0.36
PTGS1 P23219 1/20 0.36
MAPK1 P28482 3/20 0.35
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL31005134 0.84 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL2090403 0.84 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL3191907 0.81 NFE2L2 (0.45) CA1CA2CA7CA9CA12
SCHEMBL3193986 0.81 KCNH2 (0.33) ALDH1A1TDP1MAPK1MAPTL3MBTL1
SCHEMBL2092497 0.80 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL3189062 0.80 KDM4E (0.52) CA1CA2CA7CA9CA12
SCHEMBL3189835 0.76 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL3203332 0.76 TRPA1 (0.38) CA1CA2CA7CA9ALDH1A1
SCHEMBL3199523 0.75 CA1 (0.36) CA1CA2CA7CA9CA12
SCHEMBL3195480 0.74 CA1 (0.43) CA1CA2CA7CA9CA12

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
US-8206888-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2012-06-26 US disclosed
US-20100028800-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-02-04 US disclosed
EP-1953593-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-08-06 EP disclosed
US-7060414-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-06-13 US disclosed
US-20050158657-A1 Radiation-sensitive resin composition SUZUKI AKI (JP) 2005-07-21 US disclosed
US-6899989-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-05-31 US disclosed
US-20020090569-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-07-11 US disclosed