SCHEMBL31049353

SCHEMBL31049353

Cc1cc(F)c2[nH]c(CCCCn3cccn3)c(F)c2c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GRIN2B Q13224 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ DAO P14920 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
SCHEMBL31049367 0.71 GRIN2B (0.36) KDM4EL3MBTL1ALDH1A1NPSR1MAPT
SCHEMBL26316767 0.65 HRH1 (0.47) L3MBTL1ALDH1A1MAPTTLR8TLR7
SCHEMBL7100687 0.64 DAO (0.43) L3MBTL1ALDH1A1MAPTTLR8TLR7
SCHEMBL31049269 0.64 ALDH1A1 (0.35) ALDH1A1HTT
SCHEMBL31049371 0.62 ALDH1A1 (0.34) ALDH1A1MAPTPOLB
SCHEMBL45207 0.61 TLR8 (0.44) L3MBTL1ALDH1A1TLR8TLR7POLB
SCHEMBL5691507 0.60 TBXAS1 (0.47) KDM4ENPSR1MAPTTLR8TLR7
SCHEMBL11440961 0.60 TBXAS1 (0.47) KDM4ENPSR1MAPTTLR8TLR7
SCHEMBL11438392 0.60 TBXAS1 (0.47) KDM4ENPSR1MAPTTLR8TLR7
SCHEMBL6114716 0.60 TBXAS1 (0.47) KDM4ENPSR1MAPTTLR8TLR7

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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