SCHEMBL715207

SCHEMBL715207

CN(C)c1ccc(NCS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNPLA2 Q96AD5 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 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
SCHEMBL714346 0.85 BRD4 (0.40) LMNAMAPTTDP1CA1CA2
SCHEMBL4877336 0.82 TDP1 (0.62) LMNAMAPTTDP1ALDH1A1MAPK1
SCHEMBL14018611 0.79 HSD17B1 (0.62) TDP1HSD17B1HSD17B2HSD17B10SIRT2
SCHEMBL715822 0.78 MAPT (0.46) LMNAMAPTTDP1HSD17B2CA1
SCHEMBL13631950 0.76 HCRTR2 (0.42) HSD17B1HSD17B2MEN1MAPK1KMT2A
SCHEMBL712861 0.75 L3MBTL1 (0.47) MAPTALDH1A1MEN1TP53CYP1A2
SCHEMBL13631953 0.75 RORC (0.46) HSD17B1HSD17B2ALDH1A1MAPK1KMT2A
SCHEMBL4189643 0.74 KMT2A (0.54) PNPLA2HDAC6LMNAMAPTTDP1
SCHEMBL4186586 0.74 POLB (0.59) MAPTHSD17B1HSD17B2ALDH1A1TP53
SCHEMBL8281114 0.73 TDP1 (0.64) HDAC6LMNAMAPTTDP1ALDH1A1

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