SCHEMBL2957976

SCHEMBL2957976

COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([O-])c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.39
MMP8 P22894 5/20 0.39
MMP12 P39900 5/20 0.39
MMP13 P45452 5/20 0.39
MMP14 P50281 5/20 0.39
MMP16 P51512 5/20 0.39
PKM P14618 3/20 0.39
PKLR P30613 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
MMP9 P14780 4/20 0.37
MMP3 P08254 2/20 0.37
NFE2L2 Q16236 2/20 0.37
MMP1 P03956 1/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.36

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
SCHEMBL2956231 0.97 PKM (0.41) MMP2MMP8MMP12MMP13MMP14
SCHEMBL2956298 0.87 KAT6A (0.38) ALDH1A1MAPTNFE2L2GAASMN1; SMN2
SCHEMBL2957834 0.87 KAT6A (0.38) ALDH1A1NFE2L2KMT2AMEN1NPC1
SCHEMBL2960432 0.84 POLB (0.38) ALDH1A1POLBKMT2AGAASMN1; SMN2
SCHEMBL2958286 0.83 STAT3 (0.47) PKMALDH1A1MAPTNFE2L2POLB
SCHEMBL3183361 0.83 GAA (0.51) MMP13ALDH1A1MAPTMMP9NFE2L2
SCHEMBL2964758 0.82 PKM (0.48) MMP2MMP8MMP13PKMALDH1A1
SCHEMBL1089895 0.82 PKM (0.52) MMP2MMP8MMP12MMP13MMP14
SCHEMBL30727537 0.82 PKM (0.47) MMP2MMP8MMP13PKMALDH1A1
SCHEMBL3139828 0.82 TP53 (0.39) MMP2MMP8MMP12MMP13MMP14

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