SCHEMBL31052942

SCHEMBL31052942

C[Si](C)(C)CCOCn1c(=O)n(CCCO)c(=O)c2c1ncn2Cc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TRPC5 Q9UL62 5/20 0.48
▸ PDE4A P27815 2/20 0.43
▸ PDE4B Q07343 2/20 0.43
▸ PDE4C Q08493 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ TRPC4 Q9UBN4 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADORA1 P30542 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL18834083 0.84 TRPC5 (0.49) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149464 0.81 LMNA (0.70) LMNAMAPK1TRPC5PDE4APDE4B
SCHEMBL31042913 0.78 LMNA (0.56) LMNAMAPK1TRPC5PDE4APDE4B
SCHEMBL555209 0.78 PDE1A (0.64) LMNAMAPK1PDE4APDE4BPDE4C
SCHEMBL31052938 0.78 TRPC5 (0.42) MAPK1TRPC5TRPC4KCNH2POLB
SCHEMBL19374965 0.77 ADORA3 (0.51) LMNAMAPK1TRPC5TRPC4KCNH2
SCHEMBL21242794 0.76 KMT2A (0.67) MAPK1POLBALDH1A1MEN1KMT2A
SCHEMBL16076186 0.76 MAPT (0.43) MAPK1TRPC5TRPC4KCNH2POLB
SCHEMBL19505597 0.72 SMN1; SMN2 (0.38) LMNAMAPK1TRPC5TRPC4KCNH2
SCHEMBL31052954 0.71 P2RX3 (0.42) POLBALDH1A1TP53KDM4ESMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118373832-B Macrocyclic compound, pharmaceutical composition and application thereof 深圳晶蛋生物医药科技有限公司 2025-01-28 — — CN disclosed
CN-118373832-A Macrocyclic compound, pharmaceutical composition and application thereof 深圳晶蛋生物医药科技有限公司 2024-07-23 — — CN disclosed
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