SCHEMBL27904865

SCHEMBL27904865

CN(C)CCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 16/20 1.00
▸ ABCB1 P08183 1/20 0.65
▸ ABCG2 Q9UNQ0 1/20 0.65
▸ KDM4E B2RXH2 1/20 0.63
▸ NPC1 O15118 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ RAB9A P51151 1/20 0.63
▸ STS P08842 1/20 0.60

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
SCHEMBL31238411 0.93 SIGMAR1 (0.87) SIGMAR1ABCB1ABCG2KDM4ENPC1
SCHEMBL8786635 0.92 SIGMAR1 (1.00) SIGMAR1
SCHEMBL8786990 0.92 SIGMAR1 (1.00) SIGMAR1
SCHEMBL8788283 0.92 SIGMAR1 (1.00) SIGMAR1
SCHEMBL8787025 0.92 SIGMAR1 (1.00) SIGMAR1
Hydrochloric Acid SCHEMBL8787136 0.92 SIGMAR1 (0.98) SIGMAR1ABCB1ABCG2
SCHEMBL8786706 0.92 SIGMAR1 (1.00) SIGMAR1
SCHEMBL8787028 0.92 SIGMAR1 (1.00) SIGMAR1
Hydrochloric Acid SCHEMBL8788489 0.91 SIGMAR1 (0.98) SIGMAR1
SCHEMBL28647889 0.86 SIGMAR1 (0.78) SIGMAR1ABCB1ABCG2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103127053-B Medical application of 6-[2-(dimethylamino)ethoxy]flavone UNIV SHENYANG PHARMACEUTICAL 2014-05-21 — — CN disclosed
CN-103127053-B Medical application of 6-[2-(dimethylamino)ethoxy]flavone UNIV SHENYANG PHARMACEUTICAL 2014-05-21 — — CN disclosed
CN-103127053-A Medical application of 6-[2-(dimethylamino)ethoxy]flavone UNIV SHENYANG PHARMACEUTICAL 2013-06-05 — — CN disclosed
CN-103127053-A Medical application of 6-[2-(dimethylamino)ethoxy]flavone UNIV SHENYANG PHARMACEUTICAL 2013-06-05 — — CN disclosed
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