SCHEMBL712861

SCHEMBL712861

Cc1nc2cc(NCS(=O)(=O)c3cccc(-c4ccc(F)cc4)c3)ccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.47
PTPN1 P18031 12/20 0.45
PTPN5 P54829 11/20 0.45
PTPN2 P17706 11/20 0.45
HSPD1 P10809 4/20 0.45
HSPE1 P61604 4/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 2/20 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
SCHEMBL8281116 0.85 PTPN1 (0.62) PTPN1PTPN5PTPN2HSPD1HSPE1
SCHEMBL712862 0.78 L3MBTL1 (0.50) L3MBTL1GAAPTPN1PTPN5PTPN2
SCHEMBL8280448 0.76 MAPT (0.64) PTPN1PTPN5PTPN2HSPD1HSPE1
SCHEMBL715207 0.75 PNPLA2 (0.42) MEN1KMT2ATP53MAPTALDH1A1
SCHEMBL25124427 0.67 RAB9A (0.55) L3MBTL1GAAMEN1KMT2ATP53
SCHEMBL1634416 0.67 L3MBTL1 (1.00) L3MBTL1GAAMEN1KMT2ATP53
SCHEMBL30612644 0.67 L3MBTL1 (1.00) L3MBTL1GAAMEN1KMT2ATP53
SCHEMBL12324816 0.66 MAPT (0.65) GAAMEN1KMT2ATP53MAPT
SCHEMBL4880510 0.66 PTPN1 (0.72) PTPN1PTPN5PTPN2HSPD1HSPE1
SCHEMBL2061652 0.65 L3MBTL1 (0.56) L3MBTL1GAAMEN1KMT2ATP53

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