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SCHEMBL16242018

SCHEMBL16242018

CC(=O)Nc1nc(CCc2ccc(CN(N)C(=O)O)c(F)c2)cs1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 18/20 0.60
▸ MAOB P27338 3/20 0.53
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL16242040 0.92 AOC3 (0.57) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL972539 0.92 AOC3 (0.60) AOC3MAOBKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL972151 0.91 AOC3 (0.59) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL16242167 0.86 AOC3 (0.72) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL16242114 0.86 AOC3 (0.53) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL971523 0.86 AOC3 (0.71) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL973750 0.84 AOC3 (0.65) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL971509 0.84 AOC3 (0.57) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL16242227 0.84 AOC3 (0.64) AOC3MAOBKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL971432 0.83 AOC3 (0.56) 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
EP-2639229-B9 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2015-08-05 — — EP claimed
EP-2639229-B1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2014-11-26 — — EP claimed