SCHEMBL28200005

SCHEMBL28200005

Nc1ccc(-c2ccn(C[C@H]3COCCO3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ HCRTR1 O43613 7/20 0.33
▸ HCRTR2 O43614 7/20 0.33
▸ MTOR P42345 1/20 0.33
▸ DRD2 P14416 2/20 0.32
▸ DRD1 P21728 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ FEN1 P39748 1/20 0.31

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
SCHEMBL15034179 0.75 CHRM2 (0.37) KDM4EDRD2L3MBTL1MEN1NPC1
SCHEMBL18948371 0.73 CHRM2 (0.35) KDM4EL3MBTL1MEN1NPC1KMT2A
SCHEMBL11914063 0.72 CHRM2 (0.34) KDM4EL3MBTL1NPC1ALDH1A1FEN1
SCHEMBL15359058 0.69 AXL (0.43) L3MBTL1MEN1KMT2A
SCHEMBL2971826 0.69 KDM4E (0.50) KDM4EHCRTR1HCRTR2L3MBTL1MEN1
SCHEMBL19038296 0.69 AXL (0.57) —
SCHEMBL15334300 0.69 AXL (0.57) —
SCHEMBL15847313 0.68 ALDH1A1 (0.39) L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL31306191 0.68 KEAP1 (0.61) KEAP1KDM4EL3MBTL1MEN1NPC1
SCHEMBL17239438 0.67 NPC1 (0.44) KDM4EHCRTR1HCRTR2DRD2DRD1

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
CN-104185627-B Pyridone Derivatives 第三共株式会社 2018-01-12 — — CN disclosed
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