SCHEMBL31049365

SCHEMBL31049365

CC1(c2ccc3c(c2)c(C#N)cn3CCCCn2cccn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ XDH P47989 3/20 0.35

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
SCHEMBL31049264 0.81 SMN1; SMN2 (0.45) HTTMAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL31049359 0.79 HTT (0.37) HTTMAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL31049402 0.74 KDM4E (0.34) MAPTL3MBTL1TDP1
SCHEMBL31049266 0.68 L3MBTL1 (0.33) HTTMAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL1077430 0.64 MAPT (0.64) HTTMAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL31049261 0.62 KDM4E (0.37) HTTMAPTL3MBTL1SMN1; SMN2TSHR
SCHEMBL27957397 0.62 MAPT (0.66) HTTMAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL10095336 0.61 SMN1; SMN2 (0.57) HTTMAPTL3MBTL1SMN1; SMN2XDH
SCHEMBL7100687 0.60 DAO (0.43) HTTMAPTL3MBTL1TSHR
SCHEMBL18883079 0.58 NOTUM (0.53) MAPTMAPK1

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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