SCHEMBL5828408

SCHEMBL5828408

Cc1cc([S+](C)C)cc(C)c1O.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ALOX5 P09917 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BRD4 O60885 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
DUSP5 Q16690 1/20 0.31
DUSP6 Q16828 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31

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
Trifluoromethanesulfonic Acid SCHEMBL5828707 0.79 BRD4 (0.35) KMT2APTGS1PTGS2CYP1A2CYP3A4
SCHEMBL757657 0.75 CA1 (0.52) KMT2APTGS1PTGS2CYP1A2CYP3A4
SCHEMBL3871324 0.74 KMT2A (0.35) KMT2APTGS1PTGS2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3646825 0.73 CA1 (0.50) KMT2APTGS1PTGS2CYP1A2CYP3A4
SCHEMBL11213543 0.73 CA1 (0.38) KMT2APTGS1PTGS2CYP1A2CYP3A4
SCHEMBL10936986 0.73 CA1 (0.38) KMT2APTGS1PTGS2CYP1A2CYP3A4
SCHEMBL10456842 0.72 CA1 (0.41) KMT2APTGS1PTGS2CYP1A2CYP3A4
SCHEMBL2905598 0.72 CA1 (0.34) KMT2ABRD4CA1CA2
SCHEMBL10456841 0.72 CA1 (0.44) KMT2APTGS1PTGS2CYP1A2CYP3A4
SCHEMBL29443961 0.72 CA1 (0.44) KMT2APTGS1PTGS2CYP1A2CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6991888-B2 Photoresist composition for deep ultraviolet lithography comprising a mixture of photoactive compounds AZ ELECTRONIC MATERIALS USA CORP. (US) 2006-01-31 US claimed