SCHEMBL20019643

SCHEMBL20019643

CC(=O)c1ccc([S+]([O-])N2CCC3(CC2)OCCN3S(=O)(=O)C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ GFER P55789 1/20 0.30

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
SCHEMBL12673411 0.87 ALDH1A1 (0.48) ALDH1A1L3MBTL1HCRTR1HCRTR2NPC1
SCHEMBL12624079 0.81 ALDH1A1 (0.53) ALDH1A1L3MBTL1NPC1MAPTRAB9A
SCHEMBL13353678 0.81 L3MBTL1 (0.54) ALDH1A1L3MBTL1HCRTR1HCRTR2
SCHEMBL12673414 0.76 L3MBTL1 (0.46) ALDH1A1L3MBTL1HCRTR1HCRTR2
SCHEMBL12662903 0.74 L3MBTL1 (0.51) ALDH1A1L3MBTL1HCRTR1HCRTR2
SCHEMBL12621830 0.70 ALDH1A1 (0.59) ALDH1A1L3MBTL1HCRTR1HCRTR2NPC1
SCHEMBL12623948 0.70 LMNA (0.57) ALDH1A1L3MBTL1HCRTR1HCRTR2NPC1
SCHEMBL12621896 0.68 HCRTR1 (0.56) ALDH1A1L3MBTL1HCRTR1HCRTR2NPC1
SCHEMBL12624085 0.68 ALDH1A1 (0.57) ALDH1A1L3MBTL1NPC1MAPTRAB9A
SCHEMBL12626263 0.68 ALDH1A1 (0.50) ALDH1A1L3MBTL1HCRTR1HCRTR2NPC1

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-2918587-B1 Filamin A binding compounds and their use as anti-inflammatory and analgesic agents PAIN THERAPEUTICS INC (US) 2018-04-04 — — EP disclosed
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