SCHEMBL19375511

SCHEMBL19375511

Cn1c(=O)n(CCCO)c(=O)c2c1nc(Oc1cccc(N)c1Cl)n2Cc1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 7/20 0.71
TRPC4 Q9UBN4 2/20 0.71
KCNH2 Q12809 1/20 0.71
TRPC1 P48995 1/20 0.65
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.46
TSHR P16473 3/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL20431743 0.94 TRPC5 (0.63) TRPC5TRPC4KCNH2TRPC1TP53
SCHEMBL18834749 0.93 TRPC5 (0.71) TRPC5TRPC4KCNH2TRPC1TP53
SCHEMBL16027643 0.91 TRPC5 (0.73) TRPC5TRPC4KCNH2TRPC1TP53
SCHEMBL18834070 0.90 TRPC4 (0.57) TRPC5TRPC4KCNH2TRPC1SMN1; SMN2
SCHEMBL16028679 0.88 TRPC5 (0.73) TRPC5TRPC4KCNH2TRPC1TP53
SCHEMBL16028352 0.88 TRPC5 (0.76) TRPC5TRPC4KCNH2TRPC1TP53
SCHEMBL16028879 0.87 TRPC5 (0.72) TRPC5TRPC4KCNH2TRPC1TP53
SCHEMBL16028259 0.86 TRPC5 (0.71) TRPC5TRPC4KCNH2TRPC1TP53
SCHEMBL16028737 0.86 TRPC5 (0.71) TRPC5TRPC4KCNH2TRPC1TP53
SCHEMBL16076055 0.86 TRPC5 (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970303-B9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-09-20 EP disclosed