SCHEMBL13578727

SCHEMBL13578727

CC(=O)NCC1=CCC(S(=O)(=O)Nc2cc(Sc3ccccc3)c(O)c3ccccc23)S1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 2/20 0.47
▸ STAT3 P40763 1/20 0.46
▸ MCL1 Q07820 12/20 0.43
▸ HKDC1 Q2TB90 5/20 0.39
▸ KEAP1 Q14145 5/20 0.38
▸ NFE2L2 Q16236 5/20 0.38
▸ HK1 P19367 2/20 0.38
▸ BCL2 P10415 3/20 0.37
▸ BCL2L1 Q07817 3/20 0.37
▸ BCL2A1 Q16548 3/20 0.37
▸ BCL2L2 Q92843 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ G6PD P11413 2/20 0.37
▸ PKM P14618 2/20 0.37
▸ BLM P54132 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL13578711 0.86 BRAF (0.38) BRAFMCL1HKDC1KEAP1NFE2L2
SCHEMBL13578713 0.84 BRAF (0.43) BRAFMCL1HKDC1KEAP1NFE2L2
SCHEMBL13578769 0.84 L3MBTL1 (0.55) BRAFMCL1KEAP1NFE2L2KDM4E
SCHEMBL13509762 0.75 BRAF (0.60) BRAFSTAT3MCL1HKDC1KEAP1
SCHEMBL13509708 0.73 STAT3 (0.67) BRAFSTAT3MCL1HKDC1KEAP1
SCHEMBL13511835 0.72 BRAF (0.59) BRAFSTAT3MCL1HKDC1KEAP1
SCHEMBL13509704 0.72 STAT3 (0.66) BRAFSTAT3MCL1HKDC1KEAP1
SCHEMBL13509710 0.71 STAT3 (0.58) BRAFSTAT3MCL1HKDC1KEAP1
SCHEMBL13509718 0.69 STAT3 (0.65) BRAFSTAT3MCL1HKDC1KEAP1
SCHEMBL13509706 0.68 STAT3 (0.61) BRAFSTAT3MCL1HKDC1KEAP1

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
WO-2009149192-A1 STAT3 INHIBITORS BAYLOR COLLEGE OF MEDICINE (US) 2009-12-10 — — WO disclosed
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