SCHEMBL3203135

SCHEMBL3203135

COc1ccc(OC)c([S+](c2ccccc2)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 2/20 0.43
THRB P10828 1/20 0.43
CYP1A2 P05177 3/20 0.42
CYP1A1 P04798 2/20 0.42
CYP1B1 Q16678 2/20 0.42
CYP2A6 P11509 1/20 0.42
LMNA P02545 1/20 0.41
NQO1 P15559 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL3203674 0.86 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL3203357 0.85 KIF11 (0.38) CA12CA1CA2CA7CA9
SCHEMBL3192177 0.85 CA12 (0.38) CA12CA1CA2CA7CA9
SCHEMBL12172612 0.82 NQO1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL3193543 0.82 GAA (0.44) CA12CA1CA2CA7CA9
SCHEMBL3182131 0.82 ACHE (0.48) CA12CA1CA2CA7CA9
SCHEMBL3197728 0.81 MEN1 (0.44) MAPTMEN1KMT2AALDH1A1THRB
SCHEMBL3202166 0.81 MAOB (0.44) CA12CA1CA2CA7CA9
SCHEMBL31005134 0.79 CA1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL2090403 0.79 CA1 (0.50) CA12CA1CA2CA7CA9

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