SCHEMBL11037434

SCHEMBL11037434

CCOc1cccc(NS(=O)(=O)c2nccs2)c1C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 1/20 0.54
▸ ALDH1A1 P00352 6/20 0.51
▸ HTT P42858 1/20 0.45
▸ LMNA P02545 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ PKM P14618 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ POLB P06746 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
SCHEMBL11973683 0.70 SLC40A1 (1.00) SLC40A1ALDH1A1HTTLMNAMAPT
SCHEMBL3635774 0.68 ALOX15 (0.58) ALDH1A1HTTMAPTPKML3MBTL1
SCHEMBL11410717 0.66 ALDH1A1 (0.46) ALDH1A1LMNAMAPTPKML3MBTL1
SCHEMBL1142036 0.65 MAPT (0.57) ALDH1A1MAPTL3MBTL1MAPK1MEN1
SCHEMBL8752451 0.65 ALDH1A1 (0.63) ALDH1A1HTTLMNAMAPTL3MBTL1
SCHEMBL12750190 0.65 L3MBTL1 (0.56) ALDH1A1LMNAMAPTL3MBTL1MAPK1
SCHEMBL8752535 0.64 LMNA (0.64) ALDH1A1HTTLMNAMAPTL3MBTL1
SCHEMBL8752408 0.64 LMNA (0.64) SLC40A1ALDH1A1HTTLMNAMAPT
SCHEMBL18710026 0.64 SLC40A1 (0.46) SLC40A1ALDH1A1LMNAMAPTPKM
SCHEMBL22619105 0.63 SLC40A1 (0.51) SLC40A1ALDH1A1MAPTPKMMEN1

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-0014642-B1 OPHTHALMIC COMPOSITIONS COMPRISING COMBINATIONS OF CARBONIC ANHYDRASE INHIBITORS AND S-(-)-1-(TERT-BUTYLAMINO)-3-(4-MORPHOLINO-1,2,5-THIADIAZOL-3-YL)-OXY-2-PROPANOL FOR TOPICAL APPLICATION IN THE TREATMENT OF ELEVATED INTRAOCULAR PRESSURE MERCK & CO. INC. (US) 1984-03-21 — — EP claimed
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