SCHEMBL3872372

SCHEMBL3872372

Nc1c(F)c(F)cc2[nH]c(CCc3ccccc3)c(C(=O)O)c(=O)c12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
GSK3B P49841 5/20 0.35
BACE1 P56817 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
RNASEH1 O60930 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CTSV O60911 1/20 0.32
CTSL P07711 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DAO P14920 3/20 0.32

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
SCHEMBL4080919 0.87 ALOX5 (0.54) ALOX5NPC1RAB9AKMT2AL3MBTL1
SCHEMBL5716984 0.74 ALOX5 (0.41) ALOX5MTNR1AMTNR1BCTSVCTSL
SCHEMBL9540894 0.71 HCAR2 (0.34)
SCHEMBL3878774 0.71 ALOX5 (0.53) ALOX5L3MBTL1
SCHEMBL1344869 0.67 GSK3B (0.46) GSK3B
SCHEMBL6014774 0.61 KDM4E (0.61) MTNR1AMTNR1BRAB9AKMT2A
SCHEMBL13469363 0.60 CA1 (0.45) KMT2A
SCHEMBL7733392 0.59 HTR2A (0.48) L3MBTL1
SCHEMBL10928233 0.58 KDM4E (0.36) KMT2A
SCHEMBL22149262 0.57 GAA (0.56) DAO

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-2013182-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS Activx Biosciences, Inc. (US) 2009-01-14 EP disclosed
WO-2007106537-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2007-09-20 WO disclosed