SCHEMBL28335342

SCHEMBL28335342

COc1ccc(Cc2cc(S(N)(=O)=O)c(F)cc2F)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.42
GAA P10253 3/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CNR2 P34972 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRA1A P35348 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CA2 P00918 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38

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
SCHEMBL28758470 0.80 APLNR (0.45) APLNRGAATSHRMAPK1MAPT
SCHEMBL14920011 0.80 APLNR (0.40) APLNRGAATSHRMAPK1MAPT
SCHEMBL31311149 0.77 APLNR (0.42) APLNRGAATSHRMAPK1MAPT
SCHEMBL29717054 0.76 CA12 (0.42) APLNRGAATSHRMAPK1MAPT
SCHEMBL29155761 0.76 CA12 (0.37) APLNRGAAMAPK1MAPTHTT
SCHEMBL145084 0.75 APLNR (0.68) APLNRGAATSHRMAPK1MAPT
SCHEMBL28762162 0.74 CA2 (0.46) APLNRGAATSHRMAPK1MAPT
SCHEMBL31605578 0.74 APLNR (0.40) APLNRGAATSHRMAPK1MAPT
SCHEMBL28211740 0.74 CA12 (0.49) MAPTHTTKDM4ELMNAKMT2A
SCHEMBL29503477 0.74 PTGS2 (0.50) GAAMAPK1KMT2ASMN1; SMN2CA2

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-110325531-A Benzsulfamide and its purposes as therapeutic agent 泽农医药公司 2019-10-11 CN disclosed