SCHEMBL9825634

SCHEMBL9825634

NS(=O)(=O)c1sccc1-c1ccon1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
POLB P06746 1/20 0.32
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CES1 P23141 1/20 0.31
MAPT P10636 2/20 0.30
EDNRB P24530 2/20 0.30
EDNRA P25101 2/20 0.30

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
SCHEMBL9825600 0.79 KDM4E (0.31) KDM4ENPC1ALDH1A1RAB9APOLB
SCHEMBL30488012 0.72 BCAT2 (0.50) KDM4ENPC1ALDH1A1RAB9APTGS1
SCHEMBL8890179 0.71 PTPRC (0.31)
SCHEMBL3828659 0.71 CA2 (0.41) PTGS2CA2CA9CA12CA1
SCHEMBL1548721 0.68 POLB (0.52) KDM4ENPC1ALDH1A1RAB9APOLB
SCHEMBL27491067 0.68 CA2 (0.34) KDM4ENPC1ALDH1A1RAB9APOLB
SCHEMBL28869430 0.68 NPC1 (0.41) NPC1RAB9APTGS2CA2CA9
SCHEMBL6168789 0.67 CA2 (0.54) PTGS2CA2CA9CA12CA1
SCHEMBL6702067 0.67 PDPK1 (0.41) KDM4EALDH1A1RAB9APTGS1PTGS2
SCHEMBL27536398 0.67 BRD4 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0165753-B1 HERBICIDAL THIOPHENESULFONAMIDES AND PYRIDINESULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-12-11 EP disclosed
US-4723988-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-02-09 US disclosed
US-4684393-A PLATN GROWTH REGULATORS E. I. DUPONT DE NEMOURS AND COMPANY (US) 1987-08-04 US disclosed
EP-0165753-A2 Herbicidal thiophenesulfonamides and pyridinesulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-12-27 EP disclosed