SCHEMBL715498

SCHEMBL715498

Cc1cc(C)nc(CNc2ccc(CNS(=O)(=O)c3ccc(Cl)cc3Cl)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.47
CNR2 P34972 1/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PCTP Q9UKL6 3/20 0.41
STARD10 Q9Y365 2/20 0.41
STARD7 Q9NQZ5 1/20 0.41
HSD11B1 P28845 1/20 0.39
NPC1 O15118 1/20 0.39
EDNRA P25101 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL4878627 0.87 ADRA2B (0.52) ADRA2BMAPTALDH1A1PCTPSTARD10
SCHEMBL715497 0.79 MAPT (0.42) CNR2MAPTALDH1A1MAPK1HSD17B10
SCHEMBL715496 0.78 ADRA2B (0.43) ADRA2BMAPTPCTPSTARD10STARD7
SCHEMBL4884322 0.76 CA1 (0.55) ADRA2BEDNRALMNA
SCHEMBL4662757 0.74 CA9 (0.50) CNR2NR3C1PGRLMNA
SCHEMBL14018738 0.74 LMNA (0.59) ALDH1A1NPC1LMNAHTTSMN1; SMN2
SCHEMBL715945 0.73 MAPT (0.51) CNR2MAPTALDH1A1MAPK1HSD17B10
SCHEMBL714554 0.72 ALDH1A1 (0.64) MAPTALDH1A1HSD17B10LMNAHTT
SCHEMBL14018681 0.69 MAPT (0.53) MAPTALDH1A1PCTPSTARD10STARD7
SCHEMBL15127571 0.68 GAA (0.51) MAPTALDH1A1HSD11B1EDNRALMNA

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 4 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
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