SCHEMBL30149486

SCHEMBL30149486

CCOC(C)C#Cc1nc2c(c(=O)n(CCCO)c(=O)n2C)n1Cc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 7/20 0.55
▸ TRPC4 Q9UBN4 2/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ TRPC1 P48995 1/20 0.51
▸ TP53 P04637 1/20 0.49
▸ TSHR P16473 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ ATM Q13315 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HIF1A Q16665 1/20 0.41
▸ P2RX3 P56373 1/20 0.41

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
SCHEMBL30149375 0.89 TRPC5 (0.51) TRPC5TRPC4KCNH2TRPC1TP53
SCHEMBL30149323 0.88 TRPC5 (0.56) TRPC5TRPC4KCNH2TRPC1TP53
SCHEMBL30149508 0.88 TRPC5 (0.50) TRPC5TRPC4KCNH2TRPC1TP53
SCHEMBL30149447 0.86 TRPC5 (0.51) TRPC5TRPC4KCNH2TRPC1TP53
SCHEMBL30149467 0.84 TRPC5 (0.56) TRPC5TRPC4KCNH2TRPC1TP53
SCHEMBL30149297 0.84 TRPC5 (0.52) TRPC5TRPC4KCNH2TRPC1TP53
SCHEMBL30149367 0.84 TRPC5 (0.57) TRPC5TRPC4KCNH2TRPC1TP53
SCHEMBL30149527 0.82 TRPC5 (0.60) TRPC5TRPC4KCNH2TRPC1TP53
SCHEMBL30149505 0.82 TRPC5 (0.57) TRPC5TRPC4KCNH2TRPC1TP53
SCHEMBL30149451 0.80 TRPC5 (0.56) TRPC5TRPC4KCNH2TRPC1TP53

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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