SCHEMBL27646808

SCHEMBL27646808

CC(=O)Nc1nc(CCc2ccc(C(C)Br)cc2)cs1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 18/20 0.70
MAOB P27338 3/20 0.63
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL3934867 0.85 AOC3 (0.73) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL970829 0.85 AOC3 (0.76) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL4864956 0.85 AOC3 (0.76) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL3939548 0.84 AOC3 (0.74) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL971466 0.83 AOC3 (0.78) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL972537 0.83 AOC3 (0.78) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL975119 0.83 AOC3 (0.78) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL3935659 0.82 AOC3 (0.85) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL973099 0.82 AOC3 (0.76) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL972612 0.82 AOC3 (0.76) AOC3MAOBKMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100491361-C Thiazole derivatives and their use as VAP-1 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2009-05-27 CN disclosed
CN-1761655-A Thiazole derivatives and their use as VAP-1 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2006-04-19 CN disclosed