SCHEMBL20172048

SCHEMBL20172048

CN1C(=O)c2cc3ccccc3cc2S1(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 5/20 0.62
CA2 P00918 1/20 0.62
ACE2 Q9BYF1 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
HSD11B1 P28845 1/20 0.40
CA12 O43570 4/20 0.39
SLC40A1 Q9NP59 1/20 0.38
ILF3 Q12906 1/20 0.36
ELANE P08246 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL18411793 0.79 CA9 (0.37) CA9CA2CYP1A2CYP2C9CYP2C19
SCHEMBL30339085 0.77 CA9 (1.00) CA9CA2CYP2C19HSD11B1CA12
SCHEMBL107126 0.77 CA9 (1.00) CA9CA2CYP2C19HSD11B1CA12
SCHEMBL15680404 0.74 CA9 (0.52) CA9CA2ACE2CYP1A2CYP2C9
SCHEMBL2616776 0.73 CA9 (0.59) CA9CA2ACE2CYP1A2CYP2C9
SCHEMBL2616815 0.73 CA9 (0.59) CA9CA2ACE2ABCC9ABCC8
SCHEMBL17097221 0.71 CA9 (0.58) CA9CA2ACE2ABCC9ABCC8
SCHEMBL22226932 0.71 CA9 (0.58) CA9CA2ACE2ABCC9ABCC8
SCHEMBL28838466 0.71 CA9 (0.58) CA9CA2ACE2ABCC9ABCC8
SCHEMBL13534170 0.71 CA9 (0.58) CA9CA2ACE2ABCC9ABCC8

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
EP-3121655-B1 CHARGING MEMBER, PROCESS CARTRIDGE AND ELECTROPHOTOGRAPHIC IMAGE FORMING APPARATUS CANON KK (JP) 2018-05-23 EP disclosed