SCHEMBL598138

SCHEMBL598138

Brc1ccc2c(c1)-c1cc(Br)ccc1CC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
PARP10 Q53GL7 2/20 0.55
PARP1 P09874 1/20 0.55
PNMT P11086 1/20 0.45
ASIC3 Q9UHC3 1/20 0.45
TYMS P04818 2/20 0.45
S100A4 P26447 1/20 0.44
SRD5A1 P18405 1/20 0.44
SRD5A2 P31213 1/20 0.44
CHEK2 O96017 1/20 0.42
ROS1 P08922 1/20 0.42
MARK3 P27448 1/20 0.42
LTK P29376 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
AURKB Q96GD4 1/20 0.42
PBK Q96KB5 1/20 0.42
STK17A Q9UEE5 1/20 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
SCHEMBL358939 0.85 TDP1 (0.81) TDP1L3MBTL1PARP10PARP1TYMS
SCHEMBL27286 0.84 PBRM1 (0.64) TDP1L3MBTL1PARP10PARP1TYMS
SCHEMBL3362722 0.84 TDP1 (0.52) TDP1L3MBTL1PARP10PARP1PNMT
SCHEMBL14053768 0.84 TDP1 (0.52) TDP1L3MBTL1PARP10PARP1PNMT
SCHEMBL3165396 0.83 CHEK2 (0.57) TDP1L3MBTL1PARP10PARP1PNMT
SCHEMBL12117371 0.81 CHEK2 (0.55) TDP1L3MBTL1PARP10PARP1PNMT
SCHEMBL23264456 0.80 L3MBTL1 (0.62) TDP1L3MBTL1PARP10PARP1MAOA
SCHEMBL13594 0.80
SCHEMBL4817935 0.79 SRD5A1 (0.60) TDP1L3MBTL1PARP10PARP1PNMT
SCHEMBL18457167 0.79 TDP1 (0.56) TDP1L3MBTL1PARP10PARP1TYMS

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
US-8114315-B2 PHPIT and fabrication thereof NATIONAL CHIAO TUNG UNIVERSITY (TW) 2012-02-14 US disclosed
US-20100059714-A1 PHPIT and fabrication thereof NATIONAL CHIAO TUNG UNIVERSITY (TW) 2010-03-11 US disclosed