SCHEMBL7558360

SCHEMBL7558360

O=C1NC(=O)C(=Cc2cccc(Oc3cc(Cl)cc(Cl)c3)c2)S1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 6/20 1.00
AKR1B1 P15121 4/20 0.77
PIM1 P11309 5/20 0.69
PIM2 Q9P1W9 5/20 0.69
CNR1 P21554 1/20 0.65
HPGD P15428 2/20 0.61
IGF1R P08069 1/20 0.61
MMP3 P08254 1/20 0.59
MMP13 P45452 1/20 0.59
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
CISD1 Q9NZ45 1/20 0.56

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
SCHEMBL7558356 1.00 ADAMTS5 (1.00) ADAMTS5AKR1B1PIM1PIM2CNR1
SCHEMBL5509719 0.94 ADAMTS5 (0.88) ADAMTS5AKR1B1PIM1PIM2CNR1
SCHEMBL5509720 0.94 ADAMTS5 (0.88) ADAMTS5AKR1B1PIM1PIM2CNR1
SCHEMBL1248971 0.87 AKR1B1 (1.00) ADAMTS5AKR1B1PIM1PIM2HPGD
SCHEMBL1248969 0.87 AKR1B1 (1.00) ADAMTS5AKR1B1PIM1PIM2HPGD
SCHEMBL12891780 0.87 AKR1B1 (1.00) ADAMTS5AKR1B1PIM1PIM2HPGD
SCHEMBL12891792 0.82 AKR1B1 (0.81) ADAMTS5AKR1B1PIM1PIM2HPGD
SCHEMBL1247917 0.82 AKR1B1 (0.81) ADAMTS5AKR1B1PIM1PIM2HPGD
SCHEMBL1247918 0.82 AKR1B1 (0.81) ADAMTS5AKR1B1PIM1PIM2HPGD
SCHEMBL1250348 0.82 PIM1 (1.00) ADAMTS5AKR1B1PIM1PIM2CNR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002062337-A1 THIAZOLIDINEDIONES SMITHKLINE BEECHAM CORPORATION (US) 2002-08-15 WO claimed
WO-2002062337-A1 THIAZOLIDINEDIONES SMITHKLINE BEECHAM CORPORATION (US) 2002-08-15 WO disclosed