SCHEMBL31049367

SCHEMBL31049367

Cc1cc(F)c2c(c1)c(F)cn2CCCCn1cccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ MITF O75030 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ ICMT O60725 1/20 0.33
▸ KLKB1 P03952 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ KCNA3 P22001 1/20 0.31
▸ KCNA5 P22460 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL31049343 0.85 GRIN2B (0.32) GRIN2BICMTKCNA3KCNA5KDM4E
SCHEMBL31049353 0.71 KDM4E (0.33) GRIN2BPOLBHTTTLR8TLR7
SCHEMBL31049261 0.70 KDM4E (0.37) GRIN2BPOLBKMT2AMEN1ICMT
SCHEMBL7100687 0.67 DAO (0.43) HTTTLR8TLR7KCNA3KCNA5
SCHEMBL45207 0.64 TLR8 (0.44) POLBKMT2AHTTTLR8TLR7
SCHEMBL6114640 0.63 TBXAS1 (0.47) POLBHTTTLR8TLR7KDM4E
SCHEMBL6114927 0.63 TBXAS1 (0.47) POLBHTTTLR8TLR7KDM4E
SCHEMBL11440961 0.63 TBXAS1 (0.47) POLBHTTTLR8TLR7KDM4E
SCHEMBL11438392 0.63 TBXAS1 (0.47) POLBHTTTLR8TLR7KDM4E
SCHEMBL6114716 0.63 TBXAS1 (0.47) POLBHTTTLR8TLR7KDM4E

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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