SCHEMBL16363992

SCHEMBL16363992

CCCOc1nc2c(c(=O)n(CCCON)c(=O)n2C)n1Cc1ccc(Cl)cn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.47
▸ USP2 O75604 1/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ HTT P42858 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TRPC4 Q9UBN4 2/20 0.44
▸ TRPC5 Q9UL62 2/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PDE4B Q07343 2/20 0.43
▸ PDE7A Q13946 2/20 0.43
▸ HIF1A Q16665 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ TRPC1 P48995 1/20 0.41

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
SCHEMBL16028192 0.90 TRPC5 (0.55) MAPK1USP2SMN1; SMN2HTTTSHR
SCHEMBL16028973 0.86 TRPC5 (0.55) MAPK1USP2SMN1; SMN2HTTTSHR
SCHEMBL30171214 0.86 TRPC5 (0.55) MAPK1USP2SMN1; SMN2HTTTSHR
SCHEMBL16364237 0.85 SMN1; SMN2 (0.56) MAPK1USP2SMN1; SMN2TSHRALDH1A1
SCHEMBL16363859 0.84 TRPC4 (0.51) SMN1; SMN2HTTTSHRALDH1A1TP53
SCHEMBL18835222 0.83 TRPC4 (0.43) MAPK1SMN1; SMN2HTTTSHRALDH1A1
SCHEMBL16028226 0.83 TRPC5 (0.56) MAPK1SMN1; SMN2HTTTSHRTP53
SCHEMBL18834602 0.81 MAPK1 (0.47) MAPK1USP2SMN1; SMN2HTTTSHR
SCHEMBL19375057 0.81 MAOB (0.47) TRPC4TRPC5KCNH2MAOAMAOB
SCHEMBL16028345 0.80 TRPC5 (0.60) SMN1; SMN2HTTTSHRALDH1A1LMNA

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