SCHEMBL2958286

SCHEMBL2958286

COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([O-])c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.47
ALDH1A1 P00352 3/20 0.44
PKM P14618 2/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
FFAR1 O14842 2/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
FFAR4 Q5NUL3 2/20 0.40
PGR P06401 2/20 0.40
NFE2L2 Q16236 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
KEAP1 Q14145 1/20 0.39

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
SCHEMBL2960243 0.94 PKM (0.48) STAT3ALDH1A1PKMEGFRERBB2
SCHEMBL2964758 0.91 PKM (0.48) ALDH1A1PKMPGRNFE2L2KDM4E
SCHEMBL1089895 0.91 PKM (0.52) ALDH1A1PKMPGRNFE2L2KDM4E
SCHEMBL450430 0.89 PKM (0.50) ALDH1A1PKMPGRNFE2L2KDM4E
SCHEMBL759993 0.87 ALDH1A1 (0.48) ALDH1A1PKMKDM4EMEN1NPC1
SCHEMBL3143792 0.87 ALDH1A1 (0.48) ALDH1A1PKMKDM4EMEN1NPC1
SCHEMBL2955279 0.86 PKM (0.46) ALDH1A1PKMFFAR1FFAR4NFE2L2
SCHEMBL3143266 0.85 AHR (0.45) ALDH1A1PKMRAB9AKMT2A
SCHEMBL3129717 0.85 AHR (0.45) ALDH1A1PKMRAB9AKMT2A
SCHEMBL30727537 0.84 PKM (0.47) ALDH1A1PKMPGRNFE2L2POLB

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
US-7759045-B2 Chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-20 US disclosed
US-20090004601-A1 Chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-01 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-20030068573-A1 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-10 US disclosed