SCHEMBL21376336

SCHEMBL21376336

COc1ccccc1N(C)S(=O)(=O)c1ccc(C(O)Nc2nc(-c3ccccn3)cs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MAPK1 P28482 3/20 0.47
▸ HPGD P15428 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45
▸ KDM4A O75164 3/20 0.42
▸ KDM4B O94953 3/20 0.42
▸ KDM5B Q9UGL1 3/20 0.42

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
SCHEMBL665201 0.83 SMN1; SMN2 (0.74) SMN1; SMN2MAPK1LMNATDP1L3MBTL1
SCHEMBL29978071 0.83 SMN1; SMN2 (0.74) SMN1; SMN2MAPK1LMNATDP1L3MBTL1
SCHEMBL29978560 0.70 ADORA3 (0.75) SMN1; SMN2MAPK1LMNATDP1L3MBTL1
SCHEMBL664225 0.70 ADORA3 (0.75) SMN1; SMN2MAPK1LMNATDP1L3MBTL1
SCHEMBL664484 0.69 ADORA3 (0.66) SMN1; SMN2MAPK1LMNATDP1L3MBTL1
SCHEMBL29978117 0.69 ADORA3 (0.66) SMN1; SMN2MAPK1LMNATDP1L3MBTL1
SCHEMBL663246 0.68 MEN1 (0.71) SMN1; SMN2MAPK1HPGDLMNATDP1
SCHEMBL21376512 0.67 ADORA3 (0.66) SMN1; SMN2MAPK1L3MBTL1MEN1RAB9A
SCHEMBL29978012 0.67 GRM1 (0.73) SMN1; SMN2MAPK1HPGDLMNATDP1
SCHEMBL662995 0.67 GRM1 (0.73) SMN1; SMN2MAPK1HPGDLMNATDP1

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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