SCHEMBL16364235

SCHEMBL16364235

CCOCCOc1nc2c(c(=O)n(CCCO)c(=O)n2C)n1Cc1ccc(C)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.77
▸ MAPK1 P28482 1/20 0.77
▸ L3MBTL1 Q9Y468 1/20 0.77
▸ TRPC4 Q9UBN4 2/20 0.56
▸ TRPC5 Q9UL62 2/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ TSHR P16473 5/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ LMNA P02545 4/20 0.53
▸ TRPC1 P48995 1/20 0.51
▸ HTT P42858 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ PLD3 Q8IV08 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
SCHEMBL16028832 0.93 SMN1; SMN2 (0.66) SMN1; SMN2MAPK1L3MBTL1TRPC4TRPC5
SCHEMBL18834471 0.92 SMN1; SMN2 (0.65) SMN1; SMN2MAPK1L3MBTL1TRPC4TRPC5
SCHEMBL18833614 0.91 SMN1; SMN2 (0.63) SMN1; SMN2MAPK1L3MBTL1TRPC4TRPC5
SCHEMBL16363898 0.86 SMN1; SMN2 (0.57) SMN1; SMN2MAPK1L3MBTL1TRPC4TRPC5
SCHEMBL16028428 0.86 TRPC5 (0.64) SMN1; SMN2MAPK1L3MBTL1TRPC4TRPC5
SCHEMBL16028333 0.84 TRPC5 (0.68) SMN1; SMN2MAPK1L3MBTL1TRPC4TRPC5
SCHEMBL16028066 0.84 TRPC5 (0.68) SMN1; SMN2MAPK1L3MBTL1TRPC4TRPC5
SCHEMBL16028304 0.84 TRPC5 (0.70) SMN1; SMN2MAPK1L3MBTL1TRPC4TRPC5
SCHEMBL19375227 0.83 TRPC4 (0.57) SMN1; SMN2MAPK1L3MBTL1TRPC4TRPC5
SCHEMBL16028760 0.83 TRPC4 (0.57) SMN1; SMN2MAPK1L3MBTL1TRPC4TRPC5

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
WO-2014143799-A9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-12-24 — — WO disclosed
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