SCHEMBL9171801

SCHEMBL9171801

COc1ccc(C2=C(Cl)C(=O)Nc3ccccc3S2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.54
▸ GAA P10253 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ HTT P42858 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ NOX1 Q9Y5S8 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ GGT1 P19440 1/20 0.43
▸ TTR P02766 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ CHEK1 O14757 2/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL11807577 0.84 L3MBTL1 (0.53) MAPTGAAMEN1KMT2AHTT
SCHEMBL5020109 0.81 MEN1 (0.49) MAPTGAAMEN1KMT2AHTT
SCHEMBL7430660 0.75 MEN1 (0.52) MAPTGAAMEN1KMT2AHTT
SCHEMBL5746504 0.73 NPC1 (0.69) MAPTGAAMEN1KMT2AHTT
SCHEMBL5746497 0.73 NPC1 (0.69) MAPTGAAMEN1KMT2AHTT
SCHEMBL10352645 0.73 L3MBTL1 (0.58) MAPTGAAMEN1KMT2AHTT
SCHEMBL10772188 0.73 GAA (0.44) MAPTGAAMEN1KMT2AHTT
SCHEMBL3176131 0.72 NOX1 (0.68) MAPTGAAMEN1KMT2AHTT
SCHEMBL12463182 0.72 L3MBTL1 (0.66) MAPTGAAMEN1KMT2AHTT
SCHEMBL12462878 0.72 L3MBTL1 (0.66) MAPTGAAMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430012-B1 Process for preparing 2-Aromatic-3-halobenzothiazepines MARION MERRELL DOW INC (US) 1995-05-10 — — EP claimed
EP-0430012-A2 Process for preparing 2-Aromatic-3-halobenzothiazepines MARION MERRELL DOW INC. (US) 1991-06-05 — — EP claimed
US-4983733-A Process for preparing 2-aromatic-3-halobenzothiazepines MARION LABORATORIES, INC. (US) 1991-01-08 — — US claimed
EP-0430012-B1 Process for preparing 2-Aromatic-3-halobenzothiazepines MARION MERRELL DOW INC (US) 1995-05-10 — — EP disclosed
EP-0430012-A2 Process for preparing 2-Aromatic-3-halobenzothiazepines MARION MERRELL DOW INC. (US) 1991-06-05 — — EP disclosed
EP-0430012-A2 Process for preparing 2-Aromatic-3-halobenzothiazepines MARION MERRELL DOW INC. (US) 1991-06-05 — — EP disclosed
US-4983733-A Process for preparing 2-aromatic-3-halobenzothiazepines MARION LABORATORIES, INC. (US) 1991-01-08 — — US disclosed
US-4983733-A Process for preparing 2-aromatic-3-halobenzothiazepines MARION LABORATORIES, INC. (US) 1991-01-08 — — US disclosed
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