SCHEMBL21376526

SCHEMBL21376526

COc1ccc(N(C)[S+]([O-])c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 9/20 0.74
▸ MAPT P10636 4/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ HTT P42858 1/20 0.58
▸ KDM4A O75164 3/20 0.58
▸ KDM4B O94953 3/20 0.58
▸ KDM5B Q9UGL1 3/20 0.58
▸ GRM1 Q13255 1/20 0.56
▸ KDM5C P41229 1/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ PKM P14618 1/20 0.54
▸ PPP1CA P62136 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ F2 P00734 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TSHR P16473 1/20 0.52

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
SCHEMBL21909785 0.91 ADORA3 (0.67) ADORA3MAPTALDH1A1KDM4EMEN1
SCHEMBL21909810 0.91 ADORA3 (0.65) ADORA3MAPTALDH1A1KDM4EMEN1
SCHEMBL21376813 0.90 GRM1 (0.71) ADORA3MAPTALDH1A1KDM4EMEN1
SCHEMBL21376816 0.90 ADORA3 (0.71) ADORA3MAPTALDH1A1KDM4EMEN1
SCHEMBL21376529 0.89 ADORA3 (0.58) ADORA3MAPTALDH1A1KDM4EMEN1
SCHEMBL21376823 0.88 ADORA3 (0.58) ADORA3MAPTALDH1A1KDM4EMEN1
SCHEMBL21376614 0.86 ADORA3 (0.63) ADORA3MAPTALDH1A1KDM4EMEN1
SCHEMBL21376825 0.84 ADORA3 (0.77) ADORA3MAPTALDH1A1KDM4EMEN1
SCHEMBL664225 0.83 ADORA3 (0.75) ADORA3MAPTKDM4EMEN1KMT2A
SCHEMBL29978560 0.83 ADORA3 (0.75) ADORA3MAPTKDM4EMEN1KMT2A

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-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
EP-2403499-B1 METHODS AND COMPOSITIONS FOR USE IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL STEMSYNERGY THERAPEUTICS INC (US) 2019-09-18 — — EP disclosed
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