SCHEMBL15423940

SCHEMBL15423940

COc1ccc(N2CCOC23CCN(S(=O)(=O)c2ccc(OC)cc2)CC3)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ ALDH1A1 P00352 5/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ USP2 O75604 1/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ PKLR P30613 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ LMNA P02545 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ HTT P42858 3/20 0.53
▸ MAPT P10636 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL12621923 0.85 L3MBTL1 (0.78) L3MBTL1ALDH1A1KDM4EHSD17B10USP2
SCHEMBL12655508 0.79 HTT (0.62) L3MBTL1ALDH1A1KDM4EHSD17B10USP2
SCHEMBL12621865 0.78 L3MBTL1 (0.68) L3MBTL1ALDH1A1KDM4EHSD17B10USP2
SCHEMBL12622095 0.78 L3MBTL1 (0.68) L3MBTL1ALDH1A1KDM4EHSD17B10USP2
SCHEMBL15425990 0.78 L3MBTL1 (0.67) L3MBTL1ALDH1A1KDM4EHSD17B10USP2
SCHEMBL16502896 0.77 ALDH1A1 (0.91) L3MBTL1ALDH1A1KDM4EHSD17B10USP2
SCHEMBL12624064 0.77 PKM (0.58) L3MBTL1ALDH1A1KDM4EHSD17B10USP2
SCHEMBL12623925 0.75 L3MBTL1 (0.67) L3MBTL1ALDH1A1KDM4EHSD17B10USP2
SCHEMBL1722721 0.75 PKM (1.00) L3MBTL1ALDH1A1KDM4EHSD17B10USP2
SCHEMBL31315853 0.75 PKM (1.00) L3MBTL1ALDH1A1KDM4EHSD17B10USP2

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-2014012054-A1 ALZHEIMER'S DISEASE ASSAY IN A LIVING PATENT PAIN THERAPEUTICS, INC. (US) 2014-01-16 — — WO disclosed
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