SCHEMBL21645975

SCHEMBL21645975

CS(=O)(=O)Oc1ccc2c(ccc3c4c(ccc32)C=CC4)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 3/20 0.39
CA2 P00918 5/20 0.39
CA5A P35218 2/20 0.39
HPGD P15428 1/20 0.37
ALPL P05186 2/20 0.34
ALPI P09923 1/20 0.34
CA12 O43570 2/20 0.34
STS P08842 1/20 0.34
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPK1 P28482 1/20 0.32
PPARG P37231 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
PTGS2 P35354 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
SCHEMBL17544182 0.87 GAA (0.39) GAACA2STSCA1CA9
SCHEMBL15201850 0.85 HSD11B1 (0.36) CA2STSCA1CA9
SCHEMBL996026 0.79 CA12 (0.41) ALDH1A1KDM4EGAACA2CA5A
SCHEMBL668901 0.79 CA12 (0.41) ALDH1A1KDM4EGAACA2CA5A
Tetrabuthylammonium SCHEMBL26090987 0.77 FUT7 (0.34) ALDH1A1KDM4EGAATDP1L3MBTL1
SCHEMBL23199781 0.76 STS (0.39) CA2STSCA1
SCHEMBL9938274 0.76 ELANE (0.38) ALDH1A1CA2HPGDCA12CA9
SCHEMBL9938547 0.76 KDM4E (0.40) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL9938614 0.76 MEN1 (0.42) CA2
SCHEMBL9938199 0.76 PDGFRB (0.41) ALDH1A1KDM4EGAAL3MBTL1LMNA

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
EP-3829589-A1 METHODS OF ACTIVATING MICROGLIAL CELLS The Research Foundation for the State University of New York (US) 2021-06-09 EP disclosed
WO-2020028552-A1 METHODS OF ACTIVATING MICROGLIAL CELLS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-02-06 WO disclosed