SCHEMBL3010902

SCHEMBL3010902

NC/C=C(\F)COc1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 16/20 1.00
MAOB P27338 14/20 1.00
WDR5 P61964 1/20 0.56
POLB P06746 1/20 0.44
FKBP1A P62942 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
SCHEMBL3010904 1.00 AOC3 (1.00) AOC3MAOBWDR5POLBFKBP1A
SCHEMBL3010899 1.00 AOC3 (1.00) AOC3MAOBWDR5POLBFKBP1A
Hydrochloric Acid SCHEMBL3755219 0.98 AOC3 (0.97) AOC3MAOBWDR5POLB
Hydrochloric Acid SCHEMBL3755218 0.98 AOC3 (0.97) AOC3MAOBWDR5POLB
Hydrochloric Acid SCHEMBL3755215 0.98 AOC3 (0.97) AOC3MAOBWDR5POLB
SCHEMBL3752324 0.85 AOC3 (0.74) AOC3MAOB
SCHEMBL3752322 0.85 AOC3 (0.74) AOC3MAOB
SCHEMBL3752320 0.85 AOC3 (0.74) AOC3MAOB
Hydrochloric Acid SCHEMBL3762072 0.84 AOC3 (0.72) AOC3MAOB
Hydrochloric Acid SCHEMBL3762075 0.84 AOC3 (0.72) AOC3MAOB

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-2222160-A2 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR Pharmaxis Ltd. (AU) 2010-09-01 EP disclosed
WO-2009066152-A2 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (US) 2009-05-28 WO disclosed