SCHEMBL31049261

SCHEMBL31049261

N#Cc1cccc2c(F)cn(CCCn3cccn3)c12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.37
▸ L3MBTL1 Q9Y468 6/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ NPSR1 Q6W5P4 4/20 0.37
▸ MAPT P10636 4/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ ICMT O60725 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ AR P10275 1/20 0.31
▸ GRIN2B Q13224 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL31049367 0.70 GRIN2B (0.36) KDM4EL3MBTL1ALDH1A1NPSR1MAPT
SCHEMBL31049343 0.70 GRIN2B (0.32) KDM4EL3MBTL1ALDH1A1NPSR1ICMT
SCHEMBL31049266 0.68 L3MBTL1 (0.33) KDM4EL3MBTL1ALDH1A1MAPTGSK3B
SCHEMBL31049264 0.67 SMN1; SMN2 (0.45) L3MBTL1NPSR1MAPTGSK3BHTT
SCHEMBL31049393 0.64 ICMT (0.41) L3MBTL1ALDH1A1MAPTKMT2AHTT
SCHEMBL5539875 0.63 GRM5 (0.40) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL31371751 0.62 SCN9A (0.51) MAPTMEN1KMT2AHTTTSHR
SCHEMBL30047373 0.61 CYP19A1 (0.58) ALDH1A1MAPTTSHRGAASMN1; SMN2
SCHEMBL31049571 0.61 ALDH1A1 (0.36) KDM4EALDH1A1KMT2AHTTICMT
SCHEMBL7100687 0.61 DAO (0.43) L3MBTL1ALDH1A1MAPTHTTTSHR

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-118359627-A MTA synergistic PRMT5 inhibitor compounds having a tetracyclic fused ring structure 烨辉医药科技(上海)有限公司 2024-07-19 — — CN disclosed
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