SCHEMBL10289583

SCHEMBL10289583

NCc1ccnc(OCCCc2ncn(S(=O)(=O)C(F)(F)F)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 19/20 0.39
▸ LOX P28300 12/20 0.39
▸ LOXL3 P58215 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL12750179 0.78 LOXL2 (0.49) LOXL2LOXLOXL3HDAC6
SCHEMBL688303 0.74 LOXL2 (0.44) LOXL2LOXLOXL3
SCHEMBL4343502 0.69 LOXL2 (0.56) LOXL2LOXLOXL3
SCHEMBL30931700 0.68 LOXL2 (0.62) LOXL2LOXLOXL3
Hydrochloric Acid SCHEMBL13570541 0.68 LOXL2 (0.54) LOXL2LOXLOXL3
Hydrochloric Acid SCHEMBL30931587 0.68 LOXL2 (0.54) LOXL2LOXLOXL3
Hydrochloric Acid SCHEMBL4770701 0.67 LOXL2 (0.57) LOXL2LOXLOXL3
SCHEMBL30398543 0.66 LOXL2 (0.59) LOXL2LOXLOXL3
SCHEMBL4550458 0.66 LOXL2 (0.59) LOXL2LOXLOXL3
SCHEMBL6664243 0.66 LOXL2 (0.59) LOXL2LOXLOXL3

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
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 — — EP disclosed
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