SCHEMBL17047845

SCHEMBL17047845

COc1ccc(C=Cc2nc(COCc3ccccn3)co2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 4/20 0.49
SYK P43405 9/20 0.44
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
EGFR P00533 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
TRPA1 O75762 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL17047844 1.00 ERBB2 (0.49) ERBB2SYKAURKBINCENPKDM4E
SCHEMBL17047897 0.88 ERBB2 (0.40) ERBB2KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL17047899 0.88 ERBB2 (0.40) ERBB2KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL17047935 0.85 ERBB2 (0.47) ERBB2ALDH1A1NPC1RAB9A
SCHEMBL17047930 0.85 ERBB2 (0.40) ERBB2KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL17047927 0.85 ERBB2 (0.40) ERBB2KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL17047934 0.85 ERBB2 (0.47) ERBB2ALDH1A1NPC1RAB9A
SCHEMBL17047850 0.79 SYK (0.53) SYKAURKBINCENPNPC1RAB9A
SCHEMBL17047923 0.78 NPC1 (0.45) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL17047922 0.78 NPC1 (0.45) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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-2015129755-A1 NOVEL COMPOUND AND TEXTURE IMPROVER CONTAINING SAID COMPOUND 味の素株式会社 2015-09-03 WO disclosed