SCHEMBL16364299

SCHEMBL16364299

COc1cccc(CS(=O)(=O)c2nc3c(c(=O)n(CCCOC4CCCCO4)c(=O)n3C)n2Cc2ccc(Cl)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.48
▸ TRPC5 Q9UL62 2/20 0.48
▸ TRPC1 P48995 1/20 0.48
▸ P2RX3 P56373 12/20 0.47
▸ KCNH2 Q12809 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ DPP4 P27487 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HIF1A Q16665 1/20 0.40

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
SCHEMBL16079047 0.94 TRPC5 (0.54) TRPC4TRPC5TRPC1P2RX3KCNH2
SCHEMBL16079049 0.83 TRPC5 (0.60) TRPC4TRPC5TRPC1P2RX3KCNH2
SCHEMBL16028322 0.82 P2RX3 (0.52) TRPC4TRPC5TRPC1P2RX3LMNA
SCHEMBL19375485 0.82 P2RX3 (0.48) TRPC4TRPC5TRPC1P2RX3LMNA
SCHEMBL16028314 0.82 TRPC5 (0.53) TRPC4TRPC5TRPC1P2RX3KCNH2
SCHEMBL16079032 0.82 TRPC5 (0.59) TRPC4TRPC5TRPC1P2RX3KCNH2
SCHEMBL16079039 0.81 TRPC5 (0.56) TRPC4TRPC5TRPC1P2RX3KCNH2
SCHEMBL16028596 0.81 TRPC5 (0.54) TRPC4TRPC5TRPC1P2RX3KCNH2
SCHEMBL18834889 0.81 TRPC5 (0.54) TRPC4TRPC5TRPC1P2RX3KCNH2
SCHEMBL18833876 0.80 P2RX3 (0.53) TRPC4TRPC5P2RX3KCNH2LMNA

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
Send feedback