SCHEMBL714346

SCHEMBL714346

Cc1cc(F)ccc1-c1cccc(S(=O)(=O)CNc2ccc(N(C)C)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.40
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TRIM24 O15164 1/20 0.38
NMT1 P30419 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PFKFB3 Q16875 2/20 0.35
RORC P51449 2/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
BACE1 P56817 1/20 0.35
MAP2K4 P45985 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
GFER P55789 1/20 0.34
MCL1 Q07820 1/20 0.34
PTGS2 P35354 1/20 0.34
TDO2 P48775 2/20 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
SCHEMBL715207 0.85 PNPLA2 (0.42) LMNAMAPTTDP1CA1CA2
SCHEMBL4882546 0.84 TDP1 (0.56) LMNAMAPTTDP1TRIM24PFKFB3
SCHEMBL714347 0.81 HSD17B1 (0.48) BRD4MAPTRORC
SCHEMBL714579 0.76 BACE1 (0.37) BRD4LMNATRIM24NMT1CA1
SCHEMBL715822 0.74 MAPT (0.46) BRD4LMNAMAPTTDP1CA1
SCHEMBL8281114 0.69 TDP1 (0.64) LMNAMAPTTDP1MAP2K4ALDH1A1
SCHEMBL17550640 0.69 FFAR1 (0.53)
SCHEMBL4877336 0.69 TDP1 (0.62) LMNAMAPTTDP1PFKFB3MAP2K4
SCHEMBL10305004 0.68 BRD4 (0.58) BRD4PTGES2BACE1TDO2
SCHEMBL19056840 0.68 FFAR1 (0.47) TRIM24

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