SCHEMBL21376825

SCHEMBL21376825

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 10/20 0.77
▸ MAPT P10636 4/20 0.62
▸ KDM4E B2RXH2 4/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ HTT P42858 1/20 0.62
▸ KDM4A O75164 2/20 0.60
▸ KDM4B O94953 2/20 0.60
▸ KDM5B Q9UGL1 2/20 0.60
▸ GRM1 Q13255 1/20 0.57
▸ KDM5C P41229 1/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ PKM P14618 1/20 0.55
▸ PPP1CA P62136 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ F2 P00734 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53

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 0.84 ADORA3 (0.74) ADORA3MAPTKDM4EALDH1A1MEN1
SCHEMBL21376826 0.84 ADORA3 (0.66) ADORA3MAPTKDM4EALDH1A1MEN1
SCHEMBL665571 0.83 ADORA3 (0.78) ADORA3MAPTKDM4EALDH1A1MEN1
SCHEMBL21376819 0.82 ADORA3 (0.69) ADORA3MAPTKDM4EALDH1A1MEN1
SCHEMBL21376517 0.82 ADORA3 (0.80) ADORA3MAPTKDM4EALDH1A1MEN1
SCHEMBL16291393 0.79 ADORA3 (0.83) ADORA3MAPTKDM4EALDH1A1MEN1
SCHEMBL21909810 0.79 ADORA3 (0.65) ADORA3MAPTKDM4EALDH1A1MEN1
SCHEMBL31361475 0.78 ADORA3 (0.81) ADORA3MAPTKDM4EALDH1A1MEN1
SCHEMBL29978560 0.78 ADORA3 (0.75) ADORA3MAPTKDM4EMEN1KMT2A
SCHEMBL664225 0.78 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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