SCHEMBL9832774

SCHEMBL9832774

O=C1NC(=O)C(Cc2ccc3oc(Cc4ccc(O)cc4)nc3c2)S1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 2/20 0.44
MAOA P21397 2/20 0.43
CISD1 Q9NZ45 2/20 0.43
MAOB P27338 1/20 0.43
AKT1 P31749 1/20 0.42
PIK3CA P42336 1/20 0.42
PPARG P37231 6/20 0.40
POLB P06746 1/20 0.40
FFAR1 O14842 5/20 0.40
PPARA Q07869 4/20 0.40
PTPN1 P18031 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL9831543 0.90 MAPT (0.58) ALDH1A1NPSR1MAPTMAOACISD1
SCHEMBL9565667 0.90 MAPT (0.53) ALDH1A1NPSR1MAPTMAOACISD1
SCHEMBL9468083 0.88 ALDH1A1 (0.44) ALDH1A1NPSR1MAPTMAOACISD1
SCHEMBL9833714 0.88 ALDH1A1 (0.44) ALDH1A1NPSR1MAPTMAOACISD1
SCHEMBL9829846 0.88 PPARG (0.49) ALDH1A1NPSR1PPARGPOLBFFAR1
SCHEMBL9832462 0.88 PTPN1 (0.46) ALDH1A1NPSR1MAPTMAOACISD1
SCHEMBL9831532 0.87 ALDH1A1 (0.43) ALDH1A1NPSR1MAPTMAOACISD1
SCHEMBL9832231 0.87 MAPT (0.45) ALDH1A1NPSR1MAPTMAOACISD1
SCHEMBL377496 0.86 FFAR1 (0.43) ALDH1A1NPSR1MAPTMAOACISD1
SCHEMBL9832866 0.85 FFAR1 (0.57) PPARGFFAR1PPARA

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-0283035-B1 BENZOXAZOLE DERIVATIVES AND PREPARATION THEREOF TANABE SEIYAKU CO., LTD. (JP) 1991-11-06 EP disclosed
US-4948900-A INTERMEDIATES FOR DIABETES THERAPEUTIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1990-08-14 US disclosed
US-4897393-A ANTIDIABETIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1990-01-30 US disclosed
EP-0283035-A1 Benzoxazole derivatives and preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1988-09-21 EP disclosed