SCHEMBL21909810

SCHEMBL21909810

COc1cccc(N(C)[S+]([O-])c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.65
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HTT P42858 1/20 0.55
KDM4A O75164 4/20 0.55
KDM4B O94953 4/20 0.55
KDM5B Q9UGL1 4/20 0.55
GRM1 Q13255 1/20 0.53
KDM5C P41229 2/20 0.53
THRB P10828 1/20 0.52
PSMD14 O00487 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL21376526 0.91 ADORA3 (0.74) ADORA3ALDH1A1MAPTKDM4EMEN1
SCHEMBL21909785 0.89 ADORA3 (0.67) ADORA3ALDH1A1MAPTKDM4EMEN1
SCHEMBL29978117 0.84 ADORA3 (0.66) ADORA3ALDH1A1MAPTKDM4EMEN1
SCHEMBL664484 0.84 ADORA3 (0.66) ADORA3ALDH1A1MAPTKDM4EMEN1
SCHEMBL21376614 0.84 ADORA3 (0.63) ADORA3ALDH1A1MAPTKDM4EMEN1
SCHEMBL21376813 0.84 GRM1 (0.71) ADORA3ALDH1A1MAPTKDM4EMEN1
SCHEMBL21376816 0.84 ADORA3 (0.71) ADORA3ALDH1A1MAPTKDM4EMEN1
SCHEMBL21376527 0.83 ADORA3 (0.67) ADORA3ALDH1A1MAPTKDM4EMEN1
SCHEMBL21376823 0.82 ADORA3 (0.58) ADORA3ALDH1A1MAPTKDM4EMEN1
SCHEMBL21376529 0.82 ADORA3 (0.58) ADORA3ALDH1A1MAPTKDM4EMEN1

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-3626240-A1 PROCESS OF PREPARATION OF A N-ARYL BENZYL SULFONAMIDE SUBSTITUTED WITH AN AMIDO GROUP StemSynergy Therapeutics, Inc. (US) 2020-03-25 EP disclosed