SCHEMBL5402153

SCHEMBL5402153

CCCCCCCCCCCc1c(CCC)nc2ncnn2c1N

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MBOAT4 Q96T53 18/20 0.44
ATM Q13315 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
SCHEMBL3133063 1.00 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL303749 1.00 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3130141 1.00 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3871870 0.95 GAA (0.42) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3868099 0.95 GAA (0.42) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3876315 0.95 GAA (0.42) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3122488 0.95 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL4921904 0.95 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3121971 0.92 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3125386 0.92 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007527886-A 2007-10-04 JP claimed
EP-1725560-A1 5,6-DIALKYL-7-AMINO-TRIAZOLOPYRIMIDINES, METHOD FOR THEIR PRODUCTION, THEIR USE FOR CONTROLLING PATHOGENIC FUNGI AND AGENTS CONTAINING SAID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2006-11-29 EP claimed
WO-2005087772-A1 5,6-DIALKYL-7-AMINO-TRIAZOLOPYRIMIDINES, METHOD FOR THEIR PRODUCTION, THEIR USE FOR CONTROLLING PATHOGENIC FUNGI AND AGENTS CONTAINING SAID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2005-09-22 WO claimed