SCHEMBL13578769

SCHEMBL13578769

CC(=O)NCC1=CCC(S(=O)(=O)Nc2cc(Sc3cccc4cccnc34)c(O)c3ccccc23)S1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ HPGD P15428 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ HTR1A P08908 2/20 0.55
▸ PKM P14618 2/20 0.55
▸ HTR2A P28223 2/20 0.55
▸ HTR7 P34969 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ HTR6 P50406 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ THRB P10828 1/20 0.53
▸ XBP1 P17861 1/20 0.53
▸ PTBP1 P26599 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KEAP1 Q14145 3/20 0.45

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
SCHEMBL13578727 0.84 BRAF (0.47) L3MBTL1MAPTHPGDKDM4EMEN1
SCHEMBL13578711 0.82 BRAF (0.38) MAPTHPGDKDM4EMEN1ALDH1A1
SCHEMBL13510093 0.79 MEN1 (0.63) L3MBTL1MAPTHPGDKDM4EMEN1
SCHEMBL13578713 0.78 BRAF (0.43) L3MBTL1MAPTHPGDKDM4EMEN1
SCHEMBL13509985 0.78 HTT (0.77) L3MBTL1MAPTHPGDKDM4EMEN1
SCHEMBL13509979 0.77 KDM4E (0.76) L3MBTL1MAPTHPGDKDM4EMEN1
SCHEMBL13509989 0.76 ALDH1A1 (0.68) L3MBTL1MAPTHPGDKDM4EMEN1
SCHEMBL13510004 0.74 MEN1 (0.74) L3MBTL1MAPTHPGDKDM4EMEN1
SCHEMBL13509981 0.74 KDM4E (0.71) L3MBTL1MAPTHPGDKDM4EMEN1
SCHEMBL13510072 0.73 MAPT (0.73) L3MBTL1MAPTHPGDKDM4EMEN1

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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