SCHEMBL2964758

SCHEMBL2964758

COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.48
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 5/20 0.45
PGR P06401 2/20 0.44
HSD11B1 P28845 1/20 0.44
POLB P06746 1/20 0.43
HTT P42858 2/20 0.43
KEAP1 Q14145 2/20 0.43
SQSTM1 Q13501 1/20 0.43
NFE2L2 Q16236 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL450430 0.98 PKM (0.50) PKMKDM4EMEN1NPC1MAPT
SCHEMBL1089895 0.97 PKM (0.52) PKMKDM4EMEN1NPC1MAPT
SCHEMBL3143792 0.92 ALDH1A1 (0.48) PKMKDM4EMEN1NPC1MAPT
SCHEMBL759993 0.92 ALDH1A1 (0.48) PKMKDM4EMEN1NPC1MAPT
SCHEMBL2901199 0.92 MAPT (0.50) PKMKDM4EMEN1NPC1MAPT
SCHEMBL2958286 0.91 STAT3 (0.47) PKMKDM4EMEN1NPC1MAPT
SCHEMBL30727537 0.90 PKM (0.47) PKMALDH1A1PGRPOLBHTT
SCHEMBL10172900 0.88 PKM (0.66) PKMMAPTALDH1A1PGRHSD11B1
SCHEMBL3143266 0.87 AHR (0.45) PKMRAB9AKMT2AALDH1A1HSD11B1
SCHEMBL3129717 0.87 AHR (0.45) PKMRAB9AKMT2AALDH1A1HSD11B1

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 11 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-7759045-B2 Chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-20 US disclosed
US-20100028800-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-02-04 US disclosed
US-20090004601-A1 Chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-01 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-6893794-B2 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-17 US disclosed
US-20040018445-A1 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-01-29 US disclosed
US-20020090569-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-07-11 US disclosed