SCHEMBL8934626

SCHEMBL8934626

CC(=O)Nc1nc(CCCc2ccc(NC3=NCCS3)cc2)cs1

nearest known ligand 0.89

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.89
MAOB P27338 3/20 0.48
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPY1R P25929 3/20 0.43

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
SCHEMBL4875628 0.94 AOC3 (1.00) AOC3MAOBKMT2ASMN1; SMN2NPY1R
SCHEMBL3935005 0.82 AOC3 (0.78) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL3932588 0.78 AOC3 (0.71) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL3939971 0.77 AOC3 (0.73) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL3943351 0.77 AOC3 (0.69) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL3939152 0.77 AOC3 (0.73) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL14365406 0.77 AOC3 (0.69) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL8934565 0.76 AOC3 (0.70) AOC3KMT2ANPY1R
SCHEMBL4874752 0.76 AOC3 (0.64) AOC3KMT2ASMN1; SMN2
SCHEMBL4874762 0.76 AOC3 (0.64) AOC3KMT2ASMN1; SMN2

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-1996030350-A1 AMIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-03 WO disclosed