SCHEMBL18362071

SCHEMBL18362071

CC(=O)Cn1ccc2c(Oc3cc(C#N)ncn3)cccc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 7/20 0.52
▸ PPARG P37231 6/20 0.38
▸ PPARA Q07869 6/20 0.38
▸ KDR P35968 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PPARD Q03181 4/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL18361832 0.87 LOXL2 (0.44) LOXL2KDR
SCHEMBL20337881 0.86 ALDH1A1 (0.49) LOXL2PPARGPPARAKMT2AALDH1A1
SCHEMBL18362016 0.86 LOXL2 (0.73) LOXL2KDM4EALDH1A1
SCHEMBL18361808 0.85 LOXL2 (0.45) LOXL2PPARGPPARAKDRKMT2A
SCHEMBL18362172 0.83 LOXL2 (0.42) LOXL2KDRKMT2AMEN1MCL1
SCHEMBL18362073 0.82 LOXL2 (0.74) LOXL2PPARGPPARAPPARDMCL1
SCHEMBL18361806 0.79 LOXL2 (0.39) LOXL2PPARGPPARAKDRPPARD
SCHEMBL20337854 0.79 LOXL2 (0.39) LOXL2PPARGPPARAKDRKMT2A
SCHEMBL18049301 0.75 LOXL2 (0.52) LOXL2PPARGPPARAPPARDKDM4E
SCHEMBL18361822 0.74 LOXL2 (0.74) LOXL2PPARGPPARAPPARD

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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