SCHEMBL9826684

SCHEMBL9826684

COc1ccc(CC#N)cc1S(N)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.50
ADRA1D P25100 6/20 0.44
ADRA1A P35348 6/20 0.44
ADRA1B P35368 6/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.44
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
CA12 O43570 4/20 0.43

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
SCHEMBL10640275 0.81 PKM (0.55) PKMADRA1DADRA1AADRA1BADRB2
SCHEMBL1807382 0.81 PKM (0.55) PKMADRA1DADRA1AADRA1BADRB2
SCHEMBL28732677 0.81 PKM (0.55) PKMADRA1DADRA1AADRA1BADRB2
SCHEMBL9826820 0.80 RXFP1 (0.44) PKMALDH1A1
SCHEMBL24313922 0.80 PKM (0.54) PKMADRA1DADRA1AADRA1BADRB2
SCHEMBL1807384 0.80 PKM (0.58) PKMADRA1DADRA1AADRA1BADRB2
SCHEMBL142264 0.78 KDM4E (0.62) PKMADRA1DADRA1AADRA1BADRB2
SCHEMBL10639502 0.78 PKM (0.53) PKMADRA1DADRA1AADRA1BADRB2
SCHEMBL1803675 0.78 PKM (0.56) PKMADRA1DADRA1AADRA1BADRB2
SCHEMBL14368066 0.77 ADRA1D (0.56) PKMADRA1DADRA1AADRA1BADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0205348-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-09-25 EP disclosed
US-4889550-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-12-26 US disclosed
US-4786314-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-11-22 US disclosed
US-4678498-A PRE- AND POSTEMERGENCE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-07-07 US disclosed
EP-0205348-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-12-17 EP disclosed