SCHEMBL31049359

SCHEMBL31049359

C=C(C)c1ccc2c(c1)c(C#N)cn2CCCCn1cccn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ XDH P47989 2/20 0.36
▸ PLA2G4A P47712 1/20 0.36
▸ P2RX7 Q99572 1/20 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 0.82 SMN1; SMN2 (0.45) HTTMAPTLMNASMN1; SMN2TDP1
SCHEMBL31049365 0.79 HTT (0.36) HTTMAPTLMNASMN1; SMN2TDP1
SCHEMBL31049266 0.68 L3MBTL1 (0.33) HTTMAPTLMNASMN1; SMN2TDP1
SCHEMBL1077430 0.65 MAPT (0.64) HTTMAPTLMNASMN1; SMN2TDP1
SCHEMBL31049261 0.63 KDM4E (0.37) HTTMAPTSMN1; SMN2L3MBTL1TSHR
SCHEMBL17461837 0.63 HPGD (0.45) HTTMAPTLMNATSHRMAPK1
SCHEMBL27957397 0.63 MAPT (0.66) HTTMAPTLMNASMN1; SMN2TDP1
SCHEMBL10095336 0.61 SMN1; SMN2 (0.57) HTTMAPTSMN1; SMN2L3MBTL1XDH
SCHEMBL18724349 0.61 PDK1 (0.42) MAPTLMNAMAPK1
SCHEMBL7100687 0.61 DAO (0.43) HTTMAPTL3MBTL1TSHR

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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