SCHEMBL10489348

SCHEMBL10489348

C[N]C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.62
▸ CES1 P23141 2/20 0.61
▸ CA1 P00915 2/20 0.59
▸ CA2 P00918 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.57
▸ TSHR P16473 1/20 0.57
▸ CES2 O00748 1/20 0.53
▸ SRD5A2 P31213 1/20 0.53
▸ LMNA P02545 2/20 0.52
▸ GSK3B P49841 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAPT P10636 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ ACHE P22303 1/20 0.48

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
SCHEMBL22754110 0.82 CES1 (0.63) MAPK1CES1CA1CA2TDP1
SCHEMBL3988785 0.79 MAPK1 (0.56) MAPK1CES1CA1CA2TDP1
SCHEMBL10489434 0.79 MAPK1 (0.56) MAPK1CES1CA1CA2TDP1
SCHEMBL6577708 0.77 CES1 (0.57) MAPK1CES1CA1CA2TDP1
SCHEMBL27765 0.77 MAPK1 (1.00) MAPK1CES1CA1CA2TDP1
SCHEMBL10489388 0.77 MAPK1 (0.53) MAPK1CES1CA1CA2TDP1
SCHEMBL10723714 0.76 SRD5A2 (0.83) MAPK1CES1CA1CA2TDP1
SCHEMBL4603989 0.76 CES1 (1.00) MAPK1CES1CA1CA2TDP1
SCHEMBL975118 0.76 SRD5A2 (0.83) MAPK1CES1CA1CA2TDP1
SCHEMBL13666983 0.76 MAPK1 (0.62) MAPK1CES1CA1CA2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4833243-A BENZOOXAZOLES OR BENZOTHIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1989-05-23 — — US disclosed
US-4756741-A Azolyloxy-carboxylic acid amide compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1988-07-12 — — US disclosed
US-4645525-A Azolyoxy-carboxylic acid amide compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1987-02-24 — — US disclosed
US-4585471-A PREEMERGENCE BAYER AKTIENGESELLSCHAFT (DE) 1986-04-29 — — US disclosed
US-4549899-A Hericidally active novel substituted 3-trihalogenomethyl-1,2,4-thiadiazol-5-yl-oxyacetamides BAYER AKTIENGESELLSCHAFT (DE) 1985-10-29 — — US disclosed
US-4540430-A Herbicidally active novel substituted 3-trichloromethyl-1,2,4-thiadiazol-5-yl-oxyacetamides BAYER AKTIENGESELLSCHAFT (DE) 1985-09-10 — — US disclosed
US-4528379-A Preparation of substituted thiadiazolyloxyacetamides BAYER AKTIENGESELLSCHAFT (DE) 1985-07-09 — — US disclosed
US-4509971-A Benzothiazole substituted carboxylic acid amide compounds and herbicidal methods compositions thereof BAYER AKTIENGESELLSCHAFT (DE) 1985-04-09 — — US disclosed
US-4399285-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-08-16 — — US disclosed
US-4334073-A BASIC CATALYSTS, DEACETYLATION, ESTERIFICATION BAYER AKTIENGESELLSCHAFT (DE) 1982-06-08 — — US disclosed
EP-0005501-A2 Heteroaryloxy-acetamides, process for their preparation and their use as herbicides BAYER AG (DE) 1979-11-28 — — EP disclosed
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