SCHEMBL7696992

SCHEMBL7696992

O=C1NC(=O)C(=Cc2ccc(OC[C@H](O)COc3ccc(Cl)cc3)cc2)S1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.65
PIM2 Q9P1W9 4/20 0.65
GPR35 Q9HC97 1/20 0.60
HPGD P15428 4/20 0.59
PTGS2 P35354 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MAOA P21397 2/20 0.56
MAOB P27338 2/20 0.56
CISD1 Q9NZ45 2/20 0.56
CNR1 P21554 1/20 0.56
PTPN1 P18031 1/20 0.55
POLB P06746 1/20 0.55
AKR1B1 P15121 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
SCHEMBL7694250 0.89 HPGD (0.67) PIM1PIM2GPR35HPGDPTGS2
SCHEMBL7694253 0.89 HPGD (0.67) PIM1PIM2GPR35HPGDPTGS2
SCHEMBL7694244 0.89 HPGD (0.67) PIM1PIM2GPR35HPGDPTGS2
SCHEMBL7694242 0.89 HPGD (0.67) PIM1PIM2GPR35HPGDPTGS2
SCHEMBL7692762 0.88 IGF1R (0.61) PIM1PIM2GPR35HPGDPTGS2
SCHEMBL7692755 0.88 IGF1R (0.61) PIM1PIM2GPR35HPGDPTGS2
SCHEMBL7692753 0.88 IGF1R (0.61) PIM1PIM2GPR35HPGDPTGS2
SCHEMBL7693214 0.88 PIM1 (0.72) PIM1PIM2GPR35HPGDPTGS2
SCHEMBL7698704 0.88 HPGD (0.70) PIM1PIM2GPR35HPGDPTGS2
SCHEMBL7693216 0.88 PIM1 (0.72) PIM1PIM2GPR35HPGDPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002050024-A2 THIAZOLIDINEDIONES SMITHKLINE BEECHAM CORPORATION (US) 2002-06-27 WO claimed