SCHEMBL4746292

SCHEMBL4746292

Brc1ccc2c(c1)Cc1ccc(Br)cc1C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.48
TDP2 O95551 1/20 0.47
PNMT P11086 6/20 0.46
ASIC3 Q9UHC3 1/20 0.46
CMA1 P23946 1/20 0.45
AHR P35869 1/20 0.45
CHEK2 O96017 1/20 0.44
ROS1 P08922 1/20 0.44
MARK3 P27448 1/20 0.44
LTK P29376 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
MINK1 Q8N4C8 1/20 0.44
AURKB Q96GD4 1/20 0.44
PBK Q96KB5 1/20 0.44
STK17A Q9UEE5 1/20 0.44
MAP4K5 Q9Y4K4 1/20 0.44
TRPA1 O75762 1/20 0.42
ADRA2A P08913 3/20 0.42
ADRA2B P18089 2/20 0.42

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
SCHEMBL18350153 0.92 TRPA1 (0.52) METAP1TDP2PNMTASIC3CMA1
SCHEMBL21176686 0.86 CYP2A6 (0.48) METAP1TDP2PNMTASIC3CMA1
SCHEMBL4621914 0.86 CYP2A6 (0.54) METAP1TDP2PNMTASIC3CMA1
SCHEMBL27964347 0.86 METAP1 (0.40) METAP1TDP2PNMTASIC3CMA1
SCHEMBL11173730 0.86 TDP1 (0.52) METAP1PNMTASIC3TRPA1SLC6A2
SCHEMBL28126153 0.86 METAP1 (0.57) METAP1TDP2PNMTASIC3CMA1
SCHEMBL40823 0.86 METAP1 (0.57) METAP1TDP2PNMTASIC3CMA1
SCHEMBL2591523 0.85 METAP1 (0.52) METAP1TDP2PNMTASIC3CMA1
SCHEMBL27619851 0.83 METAP1 (0.55) METAP1TDP2PNMTASIC3CMA1
Ammonia Solution, Strong SCHEMBL28144371 0.83 METAP1 (0.55) METAP1TDP2PNMTASIC3CMA1

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
WO-2008120839-A1 NOVEL ORGANIC SEMICONDUCTOR COMPOUND, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME GYEONGSANG NATIONAL UNIVERSITY INDUSTRIAL AND ACADEMIC COLLABORATION FOUNDATION (KR) 2008-10-09 WO disclosed
WO-2008120839-A1 NOVEL ORGANIC SEMICONDUCTOR COMPOUND, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME GYEONGSANG NATIONAL UNIVERSITY INDUSTRIAL AND ACADEMIC COLLABORATION FOUNDATION (KR) 2008-10-09 WO disclosed