SCHEMBL9831354

SCHEMBL9831354

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.52
TBXA2R P21731 1/20 0.45
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.41
DBH P09172 1/20 0.40
GSK3B P49841 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GPR35 Q9HC97 1/20 0.39
MAOA P21397 2/20 0.39
CISD1 Q9NZ45 2/20 0.39
KDM4E B2RXH2 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL9833547 0.89 MAPT (0.52) MAOBTBXA2RMAPTALDH1A1NPSR1
SCHEMBL5213619 0.76 MAOB (0.71) MAOBMAPTALDH1A1NPSR1SMN1; SMN2
SCHEMBL6231952 0.72 PTPN1 (0.61) MAOBMAPTALDH1A1NPSR1SMN1; SMN2
SCHEMBL8182157 0.70 MAPT (0.62) MAOBMAPTALDH1A1NPSR1TP53
SCHEMBL9570681 0.69 MAOB (0.69) MAOBMAPTALDH1A1NPSR1SMN1; SMN2
SCHEMBL69585 0.69 SNCA (0.62) TBXA2RMAPTALDH1A1NPSR1POLB
SCHEMBL30477507 0.69 SNCA (0.62) TBXA2RMAPTALDH1A1NPSR1POLB
SCHEMBL11002820 0.69 MAPK1 (0.60) TBXA2RMAPTALDH1A1NPSR1POLB
SCHEMBL5362096 0.69 TBXA2R (0.56) TBXA2RMAPTALDH1A1NPSR1POLB
SCHEMBL9515259 0.69 MAOB (0.64) MAOBMAPTALDH1A1NPSR1SMN1; SMN2

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