SCHEMBL10548869

SCHEMBL10548869

O=[N+]([O-])c1ccccc1-c1ccsn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAOB P27338 1/20 0.48
MGAM O43451 3/20 0.46
GAA P10253 3/20 0.46
SI P14410 3/20 0.46
MGAM2 Q2M2H8 3/20 0.46
F2RL3 Q96RI0 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
PTPN1 P18031 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
S100A4 P26447 2/20 0.41
PTPRC P08575 1/20 0.41
HSD17B10 Q99714 1/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40

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
SCHEMBL4550545 0.75 LMNA (0.53) ALDH1A1TDP1MAOBMGAMGAA
SCHEMBL10552292 0.75 ALDH1A1 (0.49) ALDH1A1TDP1MAOBMGAMGAA
SCHEMBL1287837 0.74 ALDH1A1 (0.74) ALDH1A1TDP1MGAMGAASI
SCHEMBL30535903 0.74 ALDH1A1 (0.74) ALDH1A1TDP1MGAMGAASI
SCHEMBL15318818 0.74 ALDH1A1 (0.57) ALDH1A1TDP1MAOBMGAMGAA
SCHEMBL30987815 0.72 ALDH1A1 (0.71) ALDH1A1TDP1MGAMGAASI
Ammonia Solution, Strong SCHEMBL9060371 0.72 ALDH1A1 (0.71) ALDH1A1TDP1MAOBMGAMGAA
SCHEMBL29337140 0.72 ALDH1A1 (0.71) ALDH1A1TDP1MGAMGAASI
SCHEMBL10546438 0.72 MGAM (0.50) ALDH1A1TDP1MAOBMGAMGAA
SCHEMBL10550154 0.72 MAOB (0.48) ALDH1A1TDP1MAOBMGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4810282-A 3-ORTHO-(ISOXAZOLYL,ISOTHIAZOLYL, PYRAZOLYL,THIADIAZOLYL, OXADIAZOLYL AND TRIAZOLYL BENZENESULFONUREYLENE-1,2,4-TRIAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-07 US disclosed
EP-0083975-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-19 EP disclosed
US-4695311-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-09-22 US disclosed
US-4606755-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-08-19 US disclosed
US-4514214-A Herbicidal sulfamates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-30 US disclosed
US-4511392-A N--/PYRIMIDIN-2-YLAMINOCARBENYL/-HETERO-SUBSTITUETED BENZENSESULFO E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-16 US disclosed
US-4475944-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-09 US disclosed
EP-0096593-A2 Herbicidal sulfamates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-12-21 EP disclosed
EP-0083975-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-20 EP disclosed