SCHEMBL28880210

SCHEMBL28880210

Cc1ccc(S(=O)(=O)O)c(C(C)c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.35
EPHX2 P34913 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
GAA P10253 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL29268630 0.88 IDO1 (0.39) EPHX2CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL21825318 0.85 PTGES2 (0.37) CYP1A2CYP3A4KDM4EMEN1ALDH1A1
SCHEMBL30716899 0.84 LMNA (0.38) CYP2C19FABP3FABP4FABP5GAA
SCHEMBL29028791 0.83 ACLY (0.36) ACLYEPHX2CYP1A2CYP3A4CYP2D6
SCHEMBL5189158 0.82 ATM (0.42) CYP2D6GAAKDM4EMEN1ALDH1A1
SCHEMBL28934800 0.79 KMT2A (0.40) FABP3FABP4FABP5GAAMEN1
SCHEMBL906246 0.78 LMNA (0.36) CYP1A2CYP3A4CYP2D6ALOX15CYP2C19
SCHEMBL9101570 0.77 LMNA (0.38) CYP2C19FABP3FABP4FABP5GAA
SCHEMBL531432 0.77 LMNA (0.47) FABP3FABP4FABP5GAAKDM4E
SCHEMBL30666645 0.77 LMNA (0.38) CYP2C19FABP3FABP4FABP5GAA

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-105793238-B Substituted benzamides and methods of use thereof 基因泰克公司 2019-12-24 CN disclosed