SCHEMBL9833547

SCHEMBL9833547

O=C1NC(=O)C(Cc2ccc(O)c([N+](=O)[O-])c2)S1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAOA P21397 2/20 0.50
CISD1 Q9NZ45 2/20 0.50
MAOB P27338 1/20 0.50
TBXA2R P21731 1/20 0.47
PPARG P37231 3/20 0.47
PTPN1 P18031 1/20 0.46
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
GSK3B P49841 1/20 0.44
POLB P06746 1/20 0.44
FFAR1 O14842 2/20 0.43
PPARA Q07869 2/20 0.43
AKT1 P31749 1/20 0.43
PIK3CA P42336 1/20 0.43
DBH P09172 1/20 0.43
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL9831354 0.89 MAOB (0.52) MAPTNPSR1ALDH1A1MAOACISD1
SCHEMBL6231952 0.83 PTPN1 (0.61) MAPTNPSR1ALDH1A1MAOACISD1
SCHEMBL8182157 0.82 MAPT (0.62) MAPTNPSR1ALDH1A1MAOACISD1
SCHEMBL9832320 0.78 MAPT (0.66) MAPTNPSR1ALDH1A1MAOACISD1
SCHEMBL13846812 0.77 MAOA (0.54) MAPTNPSR1ALDH1A1MAOACISD1
SCHEMBL8181256 0.76 MAPT (0.55) MAPTNPSR1ALDH1A1MAOACISD1
SCHEMBL13846815 0.75 MAOA (0.52) MAPTALDH1A1MAOACISD1MAOB
SCHEMBL14262536 0.75 PTPN1 (0.68) MAPTNPSR1ALDH1A1MAOACISD1
Glitazone SCHEMBL623021 0.74 MAPT (0.73) MAPTNPSR1ALDH1A1MAOACISD1
SCHEMBL7631727 0.72 MAPT (0.57) MAPTNPSR1ALDH1A1MAOACISD1

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