SCHEMBL3435888

SCHEMBL3435888

NCc1ccnc(F)c1CN

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 9/20 0.45
AOC3 Q16853 8/20 0.38
AOC1 P19801 7/20 0.38
LOX P28300 2/20 0.32
LOXL3 P58215 1/20 0.32
DPP4 P27487 1/20 0.30

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
SCHEMBL22972373 0.80 LOXL2 (0.47) LOXL2AOC3AOC1LOXLOXL3
SCHEMBL1211562 0.80 KDM4E (0.39) LOXL2
SCHEMBL13029050 0.77 LOXL2 (0.44) LOXL2AOC3AOC1LOXLOXL3
SCHEMBL25199133 0.77 LOXL2 (0.39) LOXL2LOXLOXL3DPP4
SCHEMBL25197333 0.77 NOS2 (0.47) LOXL2AOC3LOXLOXL3DPP4
SCHEMBL8930770 0.76 LOXL2 (0.45) LOXL2AOC3AOC1LOXLOXL3
Hydrochloric Acid SCHEMBL25196993 0.75 LOXL2 (0.38) LOXL2LOXLOXL3DPP4
SCHEMBL19322914 0.71 CARM1 (0.41) LOXL2DPP4
SCHEMBL1146338 0.71
SCHEMBL29505683 0.71

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-2252605-A2 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2010-11-24 EP disclosed
WO-2009095872-A2 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-08-06 WO disclosed