SCHEMBL19375019

SCHEMBL19375019

CCOCCCc1nc2c(c(=O)n(CCCO)c(=O)n2C)n1CC1=CC=C(Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.42
▸ TRPC5 Q9UL62 2/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ HSD17B10 Q99714 3/20 0.40
▸ TRPC1 P48995 1/20 0.40
▸ ALDH1A1 P00352 7/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RECQL P46063 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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 0.83 TRPC5 (0.60) TRPC4TRPC5KCNH2TRPC1ALDH1A1
SCHEMBL18835260 0.81 TRPC4 (0.51) TRPC4TRPC5KCNH2HSD17B10TRPC1
SCHEMBL19375424 0.77 TRPC4 (0.41) TRPC4TRPC5KCNH2TRPC1SMN1; SMN2
SCHEMBL16076223 0.76 MAPT (0.53) TRPC4TRPC5KCNH2TRPC1ALDH1A1
SCHEMBL19375225 0.75 TP53 (0.41) TRPC4TRPC5KCNH2TRPC1ALDH1A1
SCHEMBL18834207 0.73 TRPC5 (0.75) TRPC4TRPC5KCNH2TRPC1ALDH1A1
SCHEMBL16028393 0.73 TRPC5 (0.66) TRPC4TRPC5KCNH2TRPC1ALDH1A1
SCHEMBL18833941 0.72 TRPC4 (0.47) TRPC4TRPC5KCNH2TRPC1ALDH1A1
SCHEMBL18834872 0.72 TRPC5 (0.65) TRPC4TRPC5KCNH2TRPC1ALDH1A1
SCHEMBL16028784 0.71 TRPC5 (0.64) TRPC4TRPC5KCNH2TRPC1ALDH1A1

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
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