SCHEMBL7800046

SCHEMBL7800046

COc1cc(OC)nc(NC(=O)NS(=O)(=O)Cl)n1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
CYP1A2 P05177 1/20 0.58
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
GLA P06280 1/20 0.49
CDK1 P06493 1/20 0.47
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.39

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
SCHEMBL10847825 0.91 GAA (0.53) GAACYP1A2MAPTTP53GLA
SCHEMBL11062413 0.88 GAA (0.50) GAACYP1A2MAPTTP53GLA
SCHEMBL10859355 0.86 GAA (0.63) GAACYP1A2MAPTTP53GLA
SCHEMBL8676026 0.86 GAA (0.63) GAACYP1A2MAPTTP53GLA
SCHEMBL8780934 0.84 GAA (0.61) GAACYP1A2MAPTTP53GLA
SCHEMBL8859618 0.83 GAA (0.60) GAACYP1A2MAPTTP53GLA
SCHEMBL8431787 0.83 CYP1A2 (0.75) GAACYP1A2MAPTTP53GLA
SCHEMBL8347834 0.81 GAA (0.58) GAACYP1A2MAPTTP53GLA
SCHEMBL54922 0.81 GAA (0.58) GAACYP1A2MAPTTP53GLA
SCHEMBL10849928 0.81 GAA (0.41) GAACYP1A2MAPTTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0141199-A2 N-substituted sulfamoyl chlorides and preparation thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-05-15 EP claimed
US-4401816-A USEFUL IN PREPARATION OF SULFAMIDE AND PYRROLE SULFONAMIDE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-08-30 US claimed
EP-0852224-B1 Aryne intermediates towards the preparation of herbicidal sulfamoyl urea and a process for their preparation AMERICAN CYANAMID CO (US) 2001-10-31 EP disclosed
EP-0648764-B1 N-(substituted amino)pyrrole derivatives, preparation process thereof, and herbicidal compositions KUREHA CHEMICAL IND CO LTD (JP) 1998-12-16 EP disclosed
EP-0682007-B1 Method for the preparation of 4-halo-2'-nitrobutyrophenone AMERICAN CYANAMID CO (US) 1998-10-07 EP disclosed
EP-0852224-A1 Aryne intermediates towards the preparation of herbicidal sulfamoyl urea and a process for their preparation American Cyanamid Company (US) 1998-07-08 EP disclosed
US-5612287-A N-(substituted amino) pyrrole derivatives preparation process thereof, and herbicidal compositions KUREHA KAGAKU KOGYO K.K. (JP) 1997-03-18 US disclosed
US-5604178-A N-(substituted amino)pyrrole derivatives, and herbicidal compositions KUREHA KAGAKU KOGYO K.K. (JP) 1997-02-18 US disclosed
EP-0682007-A1 Method for the preparation of 4-halo-2'-nitrobutyrophenone AMERICAN CYANAMID COMPANY (US) 1995-11-15 EP disclosed
EP-0648764-A1 N-(substituted amino)pyrrole derivatives, preparation process thereof, and herbicidal compositions KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1995-04-19 EP disclosed
EP-0238070-B1 Sulfonylurea compounds, their production and herbicidal use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-29 EP disclosed
US-5017212-A For rice paddies TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-05-21 US disclosed
EP-0238070-A2 Sulfonylurea compounds, their production and herbicidal use Takeda Chemical Industries, Ltd. (JP) 1987-09-23 EP disclosed
US-4569995-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-02-11 US disclosed
EP-0141199-A2 N-substituted sulfamoyl chlorides and preparation thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-05-15 EP disclosed
US-4448959-A Chlorosulfonyl urea triazines CIBA-GEIGY CORPORATION (US) 1984-05-15 US disclosed
US-4401816-A USEFUL IN PREPARATION OF SULFAMIDE AND PYRROLE SULFONAMIDE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-08-30 US disclosed
US-4391976-A Process for producing arylsulfamates CIBA-GEIGY CORPORATION (US) 1983-07-05 US disclosed
EP-0039239-A2 Herbicidal pyrrole sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-11-04 EP disclosed