SCHEMBL14733019

SCHEMBL14733019

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.49
TGFBR1 P36897 16/20 0.46
MAPK14 Q16539 1/20 0.46
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
MEN1 O00255 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
AGTR1 P30556 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
SCHEMBL14732922 0.88 TGFBR1 (0.47) TGFBR1MAPK14CCR1CCR8
SCHEMBL2913742 0.87 METAP1 (0.62) METAP1TGFBR1MAPK14CCR1CCR8
SCHEMBL14733018 0.85 TGFBR1 (0.46) TGFBR1MAPK14CCR1CCR8MEN1
SCHEMBL14733012 0.80 PDE10A (0.47) METAP1TGFBR1MAPK14MEN1RAB9A
SCHEMBL14732969 0.78 CCR1 (0.64) TGFBR1CCR1CCR8
SCHEMBL14732929 0.78 CCR1 (0.41) TGFBR1MAPK14CCR1CCR8
SCHEMBL14732901 0.77 CCR1 (0.50) TGFBR1CCR1CCR8
SCHEMBL14733135 0.77 LMNA (0.44) TGFBR1CCR1CCR8KMT2A
SCHEMBL14733134 0.74 CCR1 (0.50) TGFBR1MAPK14CCR1CCR8
SCHEMBL14733157 0.73 GRM5 (0.44) TGFBR1MAPK14CCR1CCR8

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