SCHEMBL14733018

SCHEMBL14733018

Cc1cccc(-c2cccc(CCCc3cccc(-c4nc(O)c5ccccc5n4)n3)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 16/20 0.46
MAPK14 Q16539 2/20 0.46
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL14732922 0.88 TGFBR1 (0.47) TGFBR1MAPK14CCR1CCR8
SCHEMBL14733019 0.85 METAP1 (0.49) TGFBR1MAPK14CCR1CCR8MEN1
SCHEMBL14733012 0.80 PDE10A (0.47) TGFBR1MAPK14MEN1RAB9AKMT2A
SCHEMBL14732969 0.78 CCR1 (0.64) TGFBR1CCR1CCR8NOS3NOS1
SCHEMBL14732929 0.78 CCR1 (0.41) TGFBR1MAPK14CCR1CCR8
SCHEMBL14732901 0.77 CCR1 (0.50) TGFBR1CCR1CCR8NOS3NOS1
SCHEMBL14733132 0.77 CCR1 (0.43) TGFBR1CCR1CCR8NOS3NOS1
SCHEMBL9607741 0.77 BRD4 (0.40) MEN1RAB9AKMT2A
SCHEMBL14733134 0.74 CCR1 (0.50) TGFBR1MAPK14CCR1CCR8NOS1
SCHEMBL14733149 0.73 CCR1 (0.42) TGFBR1MAPK14CCR1CCR8RAB9A

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-2013026866-A2 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-02-28 WO disclosed