SCHEMBL20431907

SCHEMBL20431907

Cn1c(=O)n(CCCO)c(=O)c2c1nc(O)n2Cc1ccc(Cl)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 6/20 0.51
▸ TRPC4 Q9UBN4 2/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ TP53 P04637 1/20 0.47
▸ TRPC1 P48995 1/20 0.47
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ BRAF P15056 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ GAA P10253 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ RXFP1 Q9HBX9 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
SCHEMBL16076260 0.87 TRPC5 (0.51) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL16028345 0.87 TRPC5 (0.60) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL16028226 0.86 TRPC5 (0.56) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL18834595 0.86 TRPC5 (0.65) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL16028085 0.85 TRPC5 (0.47) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL16028698 0.85 TRPC5 (0.67) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL16076112 0.85 TRPC5 (0.55) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30171214 0.85 TRPC5 (0.55) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL16028192 0.85 TRPC5 (0.55) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30171284 0.85 TRPC5 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970303-B3 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2018-08-01 — — EP disclosed
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