SCHEMBL19375227

SCHEMBL19375227

CCCOc1nc2c(c(=O)n(CCCO)c(=O)n2C)n1Cc1ccc(CI)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.57
▸ TRPC5 Q9UL62 2/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ TRPC1 P48995 1/20 0.53
▸ MAPK1 P28482 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ USP2 O75604 1/20 0.50
▸ TP53 P04637 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ PDE4B Q07343 2/20 0.45
▸ PDE7A Q13946 2/20 0.45

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
SCHEMBL16028066 0.91 TRPC5 (0.68) TRPC4TRPC5KCNH2TRPC1MAPK1
SCHEMBL16028760 0.90 TRPC4 (0.57) TRPC4TRPC5KCNH2TRPC1MAPK1
SCHEMBL16028400 0.90 TRPC4 (0.59) TRPC4TRPC5KCNH2TRPC1MAPK1
SCHEMBL16028333 0.87 TRPC5 (0.68) TRPC4TRPC5KCNH2TRPC1MAPK1
SCHEMBL16028502 0.86 TRPC4 (0.57) TRPC4TRPC5KCNH2TRPC1MAPK1
SCHEMBL16028585 0.86 TRPC5 (0.67) TRPC4TRPC5KCNH2TRPC1MAPK1
SCHEMBL16364012 0.86 TRPC5 (0.55) TRPC4TRPC5KCNH2TRPC1MAPK1
SCHEMBL16028428 0.86 TRPC5 (0.64) TRPC4TRPC5KCNH2TRPC1MAPK1
SCHEMBL16076034 0.86 TRPC5 (0.66) TRPC4TRPC5KCNH2TRPC1MAPK1
SCHEMBL19375229 0.86 TRPC5 (0.66) TRPC4TRPC5KCNH2TRPC1MAPK1

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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