SCHEMBL16364237

SCHEMBL16364237

CCCCOc1nc2c(c(=O)n(CCCON)c(=O)n2C)n1Cc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ TRPC4 Q9UBN4 2/20 0.55
▸ TRPC5 Q9UL62 2/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ MAPT P10636 3/20 0.53
▸ MAPK1 P28482 3/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ TRPC1 P48995 1/20 0.51
▸ HIF1A Q16665 1/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ MAOA P21397 2/20 0.48
▸ MAOB P27338 2/20 0.48
▸ TSHR P16473 4/20 0.48
▸ POLB P06746 2/20 0.48
▸ RAB9A P51151 1/20 0.47
▸ LMNA P02545 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ ALOX12 P18054 1/20 0.46

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
SCHEMBL19375252 0.91 KMT2A (0.52) SMN1; SMN2TRPC4TRPC5KCNH2MAPT
SCHEMBL16028333 0.89 TRPC5 (0.68) SMN1; SMN2TRPC4TRPC5KCNH2MAPT
SCHEMBL16076245 0.86 SMN1; SMN2 (0.60) SMN1; SMN2TRPC4TRPC5KCNH2MAPT
SCHEMBL16028585 0.86 TRPC5 (0.67) SMN1; SMN2TRPC4TRPC5KCNH2MAPT
SCHEMBL16076034 0.86 TRPC5 (0.66) SMN1; SMN2TRPC4TRPC5KCNH2MAPT
SCHEMBL19375229 0.86 TRPC5 (0.66) SMN1; SMN2TRPC4TRPC5KCNH2MAPT
SCHEMBL16028066 0.85 TRPC5 (0.68) SMN1; SMN2TRPC4TRPC5KCNH2MAPT
SCHEMBL16363992 0.85 MAPK1 (0.47) SMN1; SMN2TRPC4TRPC5KCNH2MAPT
SCHEMBL16076246 0.85 SMN1; SMN2 (0.54) SMN1; SMN2TRPC4TRPC5KCNH2MAPT
SCHEMBL16363972 0.84 TRPC4 (0.65) SMN1; SMN2TRPC4TRPC5KCNH2MAPT

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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