SCHEMBL28046229

SCHEMBL28046229

CN(C)c1cccc2c(S(=O)(=O)C(N)C(=O)O)cccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.59
F2 P00734 3/20 0.55
PRSS1 P07477 3/20 0.55
PRSS2 P07478 3/20 0.55
PRSS3 P35030 3/20 0.55
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
EDNRA P25101 3/20 0.46
HDAC4 P56524 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NSD2 O96028 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
SCHEMBL214991 0.87 CA2 (0.57) CA2F2PRSS1PRSS2PRSS3
SCHEMBL28751226 0.85 F2 (0.56) CA2F2PRSS1PRSS2PRSS3
SCHEMBL27495668 0.81 CA2 (0.64) CA2F2PRSS1PRSS2PRSS3
SCHEMBL5706282 0.80 CA2 (0.52) CA2F2PRSS1PRSS2PRSS3
SCHEMBL3765136 0.80 CA2 (0.49) CA2F2PRSS1PRSS2PRSS3
SCHEMBL28998125 0.79 CA2 (0.51) CA2F2PRSS1PRSS2PRSS3
SCHEMBL6046339 0.79 CA2 (0.61) CA2F2PRSS1PRSS2PRSS3
SCHEMBL26757355 0.79 CA2 (0.54) CA2F2PRSS1PRSS2PRSS3
SCHEMBL1105200 0.79 CA2 (0.65) CA2F2PRSS1PRSS2PRSS3
SCHEMBL22068731 0.78 CA2 (0.60) CA2F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105203513-A Application of dansyl amino acetic acid as enhanced mercury ion fluorescent probe UNIV SOOCHOW 2015-12-30 CN disclosed
CN-105203513-A Application of dansyl amino acetic acid as enhanced mercury ion fluorescent probe UNIV SOOCHOW 2015-12-30 CN disclosed