SCHEMBL715822

SCHEMBL715822

CN(C)c1ccc(NCS(=O)(=O)c2cccc(Br)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
TDP1 Q9NUW8 5/20 0.46
LMNA P02545 4/20 0.46
CA2 P00918 4/20 0.44
CA1 P00915 3/20 0.44
CA9 Q16790 2/20 0.44
HSD17B2 P37059 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GFER P55789 2/20 0.39
PGR P06401 1/20 0.39
ALDH1A1 P00352 4/20 0.39
ATM Q13315 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
ALPG P10696 1/20 0.39
KMT2A Q03164 1/20 0.39
TLR9 Q9NR96 1/20 0.39
BRD4 O60885 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL4180844 0.80 TDP1 (0.70) MAPTTDP1LMNACA2CA1
SCHEMBL715207 0.78 PNPLA2 (0.42) MAPTTDP1LMNACA2CA1
SCHEMBL14018615 0.75 HSD17B1 (0.52) MAPTLMNACA2CA9HSD17B2
SCHEMBL714346 0.74 BRD4 (0.40) MAPTTDP1LMNACA2CA1
SCHEMBL714421 0.74 MAOB (0.48) MAPTTDP1LMNAHSD17B2ALDH1A1
SCHEMBL99072 0.71 PSIP1 (0.56) HSD17B2PGRALDH1A1ATMMEN1
SCHEMBL11057102 0.71 CA1 (0.50) MAPTTDP1LMNACA2CA1
SCHEMBL4251866 0.69 PLCG1 (0.56) HSD17B2L3MBTL1PGRATMMEN1
SCHEMBL715821 0.69 CA2 (0.41) MAPTTDP1LMNACA2CA1
SCHEMBL2552754 0.68 ALDH1A1 (0.48) MAPTTDP1LMNAALDH1A1ATM

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120052057-A9 METHOD FOR SELECTING RESPONDERS TO BLOCKADE OF INTEGRIN RECEPTORS BIOTIE THERAPIES CORPORATION (FI) 2012-03-01 US claimed
US-20110150859-A1 METHOD FOR SELECTING RESPONDERS TO BLOCKADE OF INTEGRIN RECEPTORS BIOTIE THERAPIES CORPORATION (FI) 2011-06-23 US claimed
EP-2140029-A2 A METHOD FOR SELECTING RESPONDERS TO BLOCKADE OF INTEGRIN RECEPTORS Biotie Therapies Corp. (FI) 2010-01-06 EP claimed
WO-2008125738-A2 A METHOD FOR SELECTING RESPONDERS TO BLOCKADE OF INTEGRIN RECEPTORS BIOTIE THERAPIES CORPORATION (FI) 2008-10-23 WO claimed
US-20120052057-A9 METHOD FOR SELECTING RESPONDERS TO BLOCKADE OF INTEGRIN RECEPTORS BIOTIE THERAPIES CORPORATION (FI) 2012-03-01 US disclosed
US-20110150859-A1 METHOD FOR SELECTING RESPONDERS TO BLOCKADE OF INTEGRIN RECEPTORS BIOTIE THERAPIES CORPORATION (FI) 2011-06-23 US disclosed
EP-2140029-A2 A METHOD FOR SELECTING RESPONDERS TO BLOCKADE OF INTEGRIN RECEPTORS Biotie Therapies Corp. (FI) 2010-01-06 EP disclosed
WO-2008125738-A2 A METHOD FOR SELECTING RESPONDERS TO BLOCKADE OF INTEGRIN RECEPTORS BIOTIE THERAPIES CORPORATION (FI) 2008-10-23 WO disclosed