SCHEMBL30149416

SCHEMBL30149416

Cn1c(=O)n(CCCO)c(=O)c2c1nc(C#CC(C)(C)NC1CCCC1)n2Cc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 7/20 0.49
▸ TRPC4 Q9UBN4 2/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ TP53 P04637 2/20 0.48
▸ TRPC1 P48995 1/20 0.48
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ TSHR P16473 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ MTHFD2 P13995 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL30149412 0.90 TRPC5 (0.48) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149367 0.86 TRPC5 (0.57) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149401 0.83 TRPC5 (0.50) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149374 0.82 TRPC5 (0.49) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149394 0.82 TRPC5 (0.51) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149451 0.82 TRPC5 (0.56) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149487 0.81 TRPC5 (0.55) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149383 0.81 TRPC5 (0.55) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149537 0.80 TRPC5 (0.55) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149505 0.79 TRPC5 (0.57) TRPC5TRPC4KCNH2TP53TRPC1

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-115636831-B Fused pyrimidinediones, their use and pharmaceutical compositions 中国药科大学 2024-11-08 — — CN disclosed
CN-115636831-A Fused pyrimidinediones, their use and pharmaceutical compositions 中国药科大学 2023-01-24 — — CN disclosed
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