SCHEMBL18767313

SCHEMBL18767313

COc1ccc(S(=O)(=O)N2CCC(CNC(=O)c3cc4ccccc4[nH]3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ LMNA P02545 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MTNR1A P48039 1/20 0.51
▸ MTNR1B P49286 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ PKM P14618 2/20 0.50
▸ NAMPT P43490 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ AKR1C3 P42330 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ HCRTR1 O43613 1/20 0.48

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
SCHEMBL18768559 0.84 GSK3B (0.60) NPC1RAB9ALMNA
SCHEMBL18767324 0.83 NPC1 (0.52) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL18768365 0.83 AKR1C3 (0.52) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL18767964 0.80 SLC6A2 (0.59) HPGDALDH1A1HSD17B10AKR1C3KDM4E
SCHEMBL18768629 0.79 GSK3B (0.59) KMT2AMEN1LMNA
SCHEMBL18767961 0.79 AKR1C3 (0.57) NPC1RAB9AKMT2AMEN1MTNR1A
SCHEMBL14056716 0.79 TGM2 (0.60) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL177033 0.79 NAMPT (0.75) NAMPT
SCHEMBL6885051 0.78 KDM4E (0.67) HPGDALDH1A1HSD17B10AKR1C3KDM4E
SCHEMBL18768635 0.78 KMT2A (0.51) NPC1RAB9AKMT2AMEN1MTNR1A

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-2017066705-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AGAINST STRESS GRANULES AQUINNAH PHARMACEUTICALS, INC. (US) 2017-04-20 — — WO disclosed
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