SCHEMBL16363898

SCHEMBL16363898

Cc1ccc(Cn2c(OCCCC(F)(F)F)nc3c2c(=O)n(CCCO)c(=O)n3C)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ TRPC5 Q9UL62 4/20 0.57
▸ TRPC4 Q9UBN4 2/20 0.57
▸ TRPC1 P48995 1/20 0.57
▸ KCNH2 Q12809 1/20 0.55
▸ TSHR P16473 2/20 0.45
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PLD3 Q8IV08 1/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL16076116 0.93 TRPC5 (0.66) SMN1; SMN2MAPK1L3MBTL1TRPC5TRPC4
SCHEMBL16076113 0.92 TRPC4 (0.57) SMN1; SMN2MAPK1L3MBTL1TRPC5TRPC4
SCHEMBL16076153 0.89 TRPC5 (0.66) SMN1; SMN2MAPK1L3MBTL1TRPC5TRPC4
SCHEMBL16076115 0.88 TRPC4 (0.57) SMN1; SMN2MAPK1L3MBTL1TRPC5TRPC4
SCHEMBL18833614 0.87 SMN1; SMN2 (0.63) SMN1; SMN2MAPK1L3MBTL1TRPC5TRPC4
SCHEMBL16364235 0.86 SMN1; SMN2 (0.77) SMN1; SMN2MAPK1L3MBTL1TRPC5TRPC4
SCHEMBL18834836 0.85 TRPC4 (0.56) SMN1; SMN2MAPK1L3MBTL1TRPC5TRPC4
SCHEMBL16076120 0.83 TRPC4 (0.58) SMN1; SMN2MAPK1L3MBTL1TRPC5TRPC4
SCHEMBL16028760 0.82 TRPC4 (0.57) SMN1; SMN2MAPK1L3MBTL1TRPC5TRPC4
SCHEMBL16028502 0.82 TRPC4 (0.57) SMN1; SMN2MAPK1L3MBTL1TRPC5TRPC4

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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