SCHEMBL4035316

SCHEMBL4035316

O=C1NC(=O)/C(=C/c2ccc(-c3ccccc3Cl)cc2)S1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.64
PIM2 Q9P1W9 6/20 0.64
PIM3 Q86V86 1/20 0.64
PIK3CG P48736 1/20 0.62
IGF1R P08069 2/20 0.60
CISD1 Q9NZ45 2/20 0.56
HPGD P15428 4/20 0.55
AKR1B1 P15121 2/20 0.55
RAB9A P51151 2/20 0.54
GSK3B P49841 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
NPC1 O15118 1/20 0.54
HTT P42858 1/20 0.54
NAT1 P18440 1/20 0.54
MGAM O43451 1/20 0.53
GAA P10253 1/20 0.53
SI P14410 1/20 0.53
MGAM2 Q2M2H8 1/20 0.53

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
SCHEMBL4035319 1.00 PIM1 (0.64) PIM1PIM2PIM3PIK3CGIGF1R
SCHEMBL4206382 1.00 PIM1 (0.64) PIM1PIM2PIM3PIK3CGIGF1R
SCHEMBL4033197 0.88 PIM1 (0.67) PIM1PIM2PIM3PIK3CGIGF1R
SCHEMBL4033200 0.88 PIM1 (0.67) PIM1PIM2PIM3PIK3CGIGF1R
SCHEMBL4209957 0.88 PIM1 (0.67) PIM1PIM2PIM3PIK3CGIGF1R
SCHEMBL4035544 0.82 PIK3CG (0.62) PIM1PIM2PIM3PIK3CGIGF1R
SCHEMBL4035542 0.82 PIK3CG (0.62) PIM1PIM2PIM3PIK3CGIGF1R
SCHEMBL4198477 0.82 PIK3CG (0.62) PIM1PIM2PIM3PIK3CGIGF1R
SCHEMBL12891790 0.81 PIM1 (0.83) PIM1PIM2PIM3PIK3CGCISD1
SCHEMBL1248780 0.81 PIM1 (0.83) PIM1PIM2PIM3PIK3CGCISD1

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
EP-1501509-A4 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2009-07-15 EP disclosed
US-7348348-B2 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers MERCK & CO. INC. (US) 2008-03-25 US disclosed
EP-1501509-A2 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2005-02-02 EP disclosed
WO-2004024061-A2 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-03-25 WO disclosed