SCHEMBL31049264

SCHEMBL31049264

N#Cc1cn(CCCCn2cccn2)c2ccc(Br)cc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ GAA P10253 1/20 0.45
▸ HTT P42858 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KRAS P01116 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GSK3B P49841 3/20 0.38
▸ QPCT Q16769 3/20 0.38
▸ P2RX7 Q99572 1/20 0.38

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
SCHEMBL31049359 0.82 HTT (0.37) SMN1; SMN2HTTMAPTLMNATDP1
SCHEMBL31049365 0.81 HTT (0.36) SMN1; SMN2HTTMAPTLMNATDP1
SCHEMBL10095336 0.78 SMN1; SMN2 (0.57) SMN1; SMN2GAAHTTMAPTKRAS
SCHEMBL981509 0.75 SMN1; SMN2 (0.60) SMN1; SMN2GAAKRASNPSR1LMNA
SCHEMBL31049266 0.72 L3MBTL1 (0.33) SMN1; SMN2HTTMAPTLMNATDP1
SCHEMBL22153072 0.69 HTT (0.43) SMN1; SMN2GAAHTTMAPTKRAS
SCHEMBL22152181 0.68 KDM1A (0.44) SMN1; SMN2GAAHTTMAPTKRAS
SCHEMBL29992283 0.68 XDH (0.55) SMN1; SMN2GAAMAPTKRASNPSR1
SCHEMBL2417482 0.67 IMPDH2 (0.59) SMN1; SMN2GAAKRASNPSR1GSK3B
SCHEMBL31049343 0.67 GRIN2B (0.32) NPSR1L3MBTL1

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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