SCHEMBL714680

SCHEMBL714680

O=S(=O)(CNc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.45
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
IDH1 O75874 1/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 2/20 0.43
NFKB1 P19838 1/20 0.42

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
SCHEMBL4882901 0.81 GAA (0.57) GAANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9968016 0.73 HSP90AA1 (0.65) GAAMAPTLMNAMAPK1TSHR
SCHEMBL713589 0.70 PKM (0.42) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL716310 0.70 MEN1 (0.39) MAPTKMT2AMEN1LMNA
SCHEMBL714681 0.68 KDM4E (0.46) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL9968014 0.68 HPGD (0.74) GAAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL3455487 0.68 RAB9A (0.85) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL29826933 0.67 MAOB (0.56) GAANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL409478 0.67 MAOB (0.56) GAANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL21545963 0.67 GAA (0.50) GAANPC1RAB9AMAPTSMN1; SMN2

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