SCHEMBL4773524

SCHEMBL4773524

O=C1NC(=O)C(Cc2ccc3[nH]c4ccccc4c3c2)S1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.53
MAPT P10636 1/20 0.52
ALDH1A1 P00352 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAOA P21397 2/20 0.49
CISD1 Q9NZ45 2/20 0.49
AKT1 P31749 1/20 0.48
PIK3CA P42336 1/20 0.48
MAOB P27338 2/20 0.47
PTPN1 P18031 2/20 0.47
FFAR1 O14842 5/20 0.46
PPARA Q07869 2/20 0.45
CA2 P00918 1/20 0.43

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
SCHEMBL4778011 0.87 CA2 (0.60) PPARGMAPTALDH1A1NPSR1AKT1
SCHEMBL4845571 0.85 PPARG (0.49) PPARGMAPTALDH1A1NPSR1MAOA
SCHEMBL98544 0.77 ALDH1A1 (0.49) PPARGMAPTALDH1A1NPSR1MAOA
SCHEMBL13846702 0.76 PPARG (0.59) PPARGMAPTALDH1A1NPSR1MAOA
SCHEMBL9570559 0.76 MAPT (0.83) PPARGMAPTALDH1A1NPSR1MAOA
SCHEMBL166570 0.75 PPARG (0.74) PPARGMAPTALDH1A1NPSR1MAOA
SCHEMBL4089698 0.75 ALDH1A1 (0.50) PPARGMAPTALDH1A1NPSR1MAOA
SCHEMBL4778234 0.74 KDM4E (0.53) PPARGMAPTALDH1A1NPSR1MAOA
SCHEMBL13846727 0.74 PPARG (0.47) PPARGMAPTFFAR1
SCHEMBL6866703 0.73 PPARG (0.71) PPARGMAPTALDH1A1NPSR1MAOA

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-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 WO disclosed