SCHEMBL18362073

SCHEMBL18362073

CC(=O)Cn1ccc2c(Oc3cc(CN)ncn3)cccc21

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 13/20 0.74
▸ PPARG P37231 5/20 0.36
▸ PPARA Q07869 5/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ PPARD Q03181 3/20 0.35
▸ MCL1 Q07820 1/20 0.35

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
SCHEMBL18361822 0.92 LOXL2 (0.74) LOXL2PPARGPPARAPPARD
SCHEMBL18361829 0.91 LOXL2 (0.70) LOXL2PPARGPPARAHTR2C
Acetic Acid SCHEMBL20337848 0.90 LOXL2 (0.67) LOXL2PPARGPPARA
Acetic Acid SCHEMBL20337861 0.90 LOXL2 (0.66) LOXL2PPARGPPARAHTR2CPPARD
SCHEMBL18361824 0.87 LOXL2 (0.64) LOXL2HTR2C
Trifluoroacetic Acid SCHEMBL20337918 0.86 LOXL2 (0.67) LOXL2PPARGPPARAPPARD
SCHEMBL19952733 0.86 LOXL2 (0.64) LOXL2PPARGPPARA
SCHEMBL18362031 0.85 LOXL2 (1.00) LOXL2
SCHEMBL20337919 0.85 LOXL2 (0.66) LOXL2PPARGPPARAPPARD
SCHEMBL18361807 0.85 LOXL2 (0.65) LOXL2HTR2CMCL1

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
WO-2017003862-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2017-01-05 — — WO disclosed
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