SCHEMBL8086963

SCHEMBL8086963

COc1ccc(N(C)C(=S)c2c(O)c3cc(Cl)ccc3n(C)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ HPGD P15428 1/20 0.39
▸ HIF1A Q16665 6/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HDAC4 P56524 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL9287071 0.94 ALDH1A1 (0.42) GSK3BMEN1PGRKMT2AALDH1A1
SCHEMBL9287554 0.89 GSK3B (0.41) GSK3BMEN1PGRKMT2AALDH1A1
SCHEMBL9282960 0.88 GSK3B (0.43) GSK3BMEN1PGRKMT2AALDH1A1
SCHEMBL8085817 0.87 MEN1 (0.56) GSK3BMEN1PGRKMT2AALDH1A1
SCHEMBL9266139 0.85 MEN1 (0.54) MEN1PGRKMT2AALDH1A1KDM4E
SCHEMBL9269029 0.84 MEN1 (0.46) GSK3BMEN1PGRKMT2AALDH1A1
SCHEMBL9267786 0.84 GSK3B (0.41) GSK3BALDH1A1KDM4EGAAHIF1A
SCHEMBL10672221 0.82 MEN1 (0.56) GSK3BMEN1PGRKMT2AALDH1A1
SCHEMBL10679151 0.79 KMT2A (0.60) MEN1PGRKMT2AALDH1A1KDM4E
SCHEMBL9267602 0.79 MAPT (0.41) MEN1KMT2AALDH1A1KDM4EGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1048296-A1 DRUGS AUGMENTING NKT CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 — — EP claimed
CN-1284878-A Drugs augmenting NKT cells FUJISAWA PHARMACEUTICAL CO (JP) 2001-02-21 — — CN disclosed
EP-1048296-A1 DRUGS AUGMENTING NKT CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 — — EP disclosed
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