SCHEMBL28801289

SCHEMBL28801289

CC(N)c1cn(S(=O)(=O)c2cccnc2)c(-c2cccnc2F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.35
FGFR4 P22455 1/20 0.34
GRIA2 P42262 2/20 0.33
KCNH2 Q12809 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
NAPRT Q6XQN6 1/20 0.32
PTGS2 P35354 2/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
CYP17A1 P05093 1/20 0.32
HPGD P15428 1/20 0.31
CTSD P07339 2/20 0.31
BACE1 P56817 2/20 0.31
BACE2 Q9Y5Z0 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL4255601 0.84 CYP3A4 (0.35) NAPRTPTGS2HSD17B10HPGDKDM4E
SCHEMBL14828654 0.81 FEN1 (0.37) FEN1FGFR4GRIA2KCNH2PSEN1
SCHEMBL2408571 0.80 NAPRT (0.34) FEN1FGFR4PSEN1PSEN2APH1B
SCHEMBL5033096 0.80 GRIA2 (0.32) GRIA2KCNH2PTGS2CYP2C19
SCHEMBL1580807 0.78 FGFR4 (0.35) FGFR4PSEN1PSEN2APH1BNCSTN
SCHEMBL1581033 0.76 ALDH1A1 (0.31) FGFR4HPGDKDM4E
SCHEMBL2410557 0.76 KDM4E (0.35) FEN1FGFR4PSEN1PSEN2APH1B
SCHEMBL2413180 0.75 HTR6 (0.37) FGFR4KDM4E
SCHEMBL4419516 0.75 KDM4E (0.34) FEN1FGFR4PSEN1PSEN2APH1B
SCHEMBL4419513 0.74 KDM4E (0.34) FEN1FGFR4PSEN1PSEN2APH1B

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
CN-110200903-B Liquid formulations of amines and organic acids stabilized with salts 武田药品工业株式会社 2022-07-29 CN claimed