SCHEMBL18835260

SCHEMBL18835260

CCOCCCc1nc2c(c(=O)n(CCCO)c(=O)n2C)n1Cc1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.51
▸ TRPC5 Q9UL62 2/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TRPC1 P48995 1/20 0.47
▸ TP53 P04637 1/20 0.45
▸ KMT2A Q03164 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ TSHR P16473 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ LMNA P02545 4/20 0.42
▸ BRAF P15056 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MEN1 O00255 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
SCHEMBL16068298 0.92 TRPC5 (0.60) TRPC4TRPC5KCNH2SMN1; SMN2MAPK1
SCHEMBL18834471 0.87 SMN1; SMN2 (0.65) TRPC4TRPC5KCNH2SMN1; SMN2MAPK1
SCHEMBL16076223 0.84 MAPT (0.53) TRPC4TRPC5KCNH2SMN1; SMN2MAPK1
SCHEMBL16028393 0.81 TRPC5 (0.66) TRPC4TRPC5KCNH2SMN1; SMN2MAPK1
SCHEMBL19375488 0.81 TRPC5 (0.67) TRPC4TRPC5KCNH2TRPC1
SCHEMBL19375019 0.81 TRPC4 (0.42) TRPC4TRPC5KCNH2SMN1; SMN2MAPK1
SCHEMBL18834872 0.81 TRPC5 (0.65) TRPC4TRPC5KCNH2SMN1; SMN2MAPK1
SCHEMBL16363982 0.81 TRPC5 (0.55) TRPC4TRPC5KCNH2SMN1; SMN2MAPK1
SCHEMBL18833941 0.80 TRPC4 (0.47) TRPC4TRPC5KCNH2SMN1; SMN2MAPK1
SCHEMBL16028784 0.80 TRPC5 (0.64) TRPC4TRPC5KCNH2SMN1; SMN2MAPK1

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
EP-2970303-B9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-09-20 — — EP disclosed
EP-2970303-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 — — EP disclosed
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