SCHEMBL714579

SCHEMBL714579

Cc1cc(F)ccc1-c1cccc(S(=O)(=O)C(N)c2ccc(N(C)C)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.37
GBA1 P04062 2/20 0.36
TDO2 P48775 1/20 0.35
BRD4 O60885 3/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
MAPK14 Q16539 1/20 0.34
TRIM24 O15164 1/20 0.34
CA12 O43570 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
PTGS2 P35354 1/20 0.34
RORC P51449 2/20 0.33
CA1 P00915 1/20 0.33
FFAR1 O14842 1/20 0.33
LRRK2 Q5S007 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
NMT1 P30419 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32

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
SCHEMBL715206 0.85 HSD17B1 (0.40) GBA1CA12CA2CA9LMNA
SCHEMBL714347 0.81 HSD17B1 (0.48) BRD4RORCFFAR1
SCHEMBL4882546 0.78 TDP1 (0.56) PTGES2TRIM24LMNA
SCHEMBL714346 0.76 BRD4 (0.40) BACE1TDO2BRD4PTGES2TRIM24
SCHEMBL715821 0.74 CA2 (0.41) GBA1CA12CA2CA9CA1
SCHEMBL14018611 0.65 HSD17B1 (0.62) FFAR1
SCHEMBL15340859 0.65 LMNA (0.43) BACE1LMNAAKR1C3AKR1C2
SCHEMBL21020958 0.64 MAP4K4 (0.47) BACE1BRD4NMT1
SCHEMBL30293697 0.64 MAP4K4 (0.47) BACE1BRD4NMT1
SCHEMBL19056840 0.64 FFAR1 (0.47) TRIM24FFAR1

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 6 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
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