SCHEMBL28183309

SCHEMBL28183309

CCOc1ccccc1CC(C)(C)OC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.44
▸ GLA P06280 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ THRB P10828 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ PLEC Q15149 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL27586113 0.83 GABRA1 (0.39) MAPTKDM4EALDH1A1GRIN1GRIN2B
SCHEMBL27759078 0.81 GRIN2B (0.42) L3MBTL1ALDH1A1GRIN1GRIN2BGAA
SCHEMBL28272597 0.78 NR3C2 (0.43) KDM4EALDH1A1LMNAGAAKMT2A
SCHEMBL27500366 0.78 FDPS (0.46) MAPTKDM4EALDH1A1LMNAKMT2A
SCHEMBL27837868 0.78 SMN1; SMN2 (0.39) MAPTNPSR1KDM4EALDH1A1LMNA
SCHEMBL27737954 0.78 CYP4F2 (0.41) L3MBTL1MAPTNPSR1ALDH1A1LMNA
SCHEMBL27758897 0.77 CTSK (0.35) MAPTNPSR1ALDH1A1LMNAKMT2A
SCHEMBL27668919 0.77 ALDH1A1 (0.47) KDM4EALDH1A1LMNAKMT2A
SCHEMBL27852818 0.77 RIPK1 (0.43) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL27839098 0.77 CTSK (0.35) MAPTALDH1A1LMNAKMT2AHCRTR1

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-107400092-A Pyridine derivatives and preparation method thereof and its purposes in medicine 浙江海正药业股份有限公司 2017-11-28 — — CN disclosed
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