SCHEMBL10557003

SCHEMBL10557003

C=CCc1nnc(-c2ccccc2[N+](=O)[O-])s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 2/20 0.58
▸ GAA P10253 2/20 0.58
▸ SI P14410 2/20 0.58
▸ MGAM2 Q2M2H8 2/20 0.58
▸ DDX3X O00571 2/20 0.46
▸ ALDH1A1 P00352 6/20 0.44
▸ GFER P55789 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ GUSB P08236 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAOB P27338 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ PTPN1 P18031 1/20 0.35

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
SCHEMBL1207823 0.82 MGAM (0.62) MGAMGAASIMGAM2DDX3X
SCHEMBL1206678 0.80 MGAM (0.59) MGAMGAASIMGAM2DDX3X
SCHEMBL1208619 0.78 GAA (0.58) MGAMGAASIMGAM2DDX3X
SCHEMBL1206444 0.75 MGAM (0.69) MGAMGAASIMGAM2DDX3X
SCHEMBL10554685 0.75 ALDH1A1 (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1208099 0.74 MGAM (0.68) MGAMGAASIMGAM2DDX3X
SCHEMBL1207665 0.74 MGAM (1.00) MGAMGAASIMGAM2DDX3X
SCHEMBL1208455 0.74 MGAM (0.68) MGAMGAASIMGAM2DDX3X
SCHEMBL968446 0.74 MGAM (0.68) MGAMGAASIMGAM2DDX3X
SCHEMBL1208001 0.70 MGAM (0.62) MGAMGAASIMGAM2DDX3X

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
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