SCHEMBL13572309

SCHEMBL13572309

O=C(Cc1ccccc1)Nc1cc(C(=O)Nc2ncc[nH]2)c2[nH]c(NC(=O)Oc3cc4ccccc4cn3)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ROCK2 O75116 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NAMPT P43490 1/20 0.35
BRAF P15056 1/20 0.35
MCHR1 Q99705 2/20 0.35
TEK Q02763 1/20 0.35
WNT3A P56704 1/20 0.35
HPGDS O60760 1/20 0.35
WNT1 P04628 1/20 0.34
TGFBR1 P36897 1/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL1201754 0.88 ALDH1A1 (0.42) ALDH1A1MAPK1HSD17B10MEN1KMT2A
SCHEMBL13572300 0.84 HPGDS (0.39) MEN1KMT2AHPGDSNPC1RAB9A
SCHEMBL1201804 0.80 HDAC1 (0.39) KDM4ENPC1RAB9A
SCHEMBL4247706 0.80 ALDH1A1 (0.43) ALDH1A1MAPK1HSD17B10KMT2AROCK2
SCHEMBL4247703 0.79 ALDH1A1 (0.41) ALDH1A1MAPK1HSD17B10ROCK2NAMPT
SCHEMBL13572248 0.78 PTGES (0.37) MAPK1HPGDSKDM4ERAB9A
SCHEMBL13572193 0.77 RAB9A (0.39) ALDH1A1MEN1KMT2ABRAFHPGDS
SCHEMBL1201025 0.75 HPGDS (0.40) MEN1KMT2AHPGDSNPC1RAB9A
SCHEMBL13572154 0.74 PTGES (0.39) MEN1KMT2AHPGDSNPC1RAB9A
SCHEMBL13571916 0.74 NPC1 (0.51) MEN1KMT2ANPC1RAB9A

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-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP claimed