SCHEMBL9569775

SCHEMBL9569775

O=C(Nc1ccc(C(F)(F)F)c(Br)c1)NS(=O)(=O)c1ccc2occc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 11/20 0.40
CA1 P00915 9/20 0.40
CA2 P00918 9/20 0.40
CA7 P43166 5/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CNR1 P21554 1/20 0.39
CA12 O43570 7/20 0.38
TP53 P04637 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL9569782 0.78 CA12 (0.47) CA9CA1CA2CA7MEN1
SCHEMBL9569781 0.78 CNR1 (0.48) CA9CA1CA2MEN1KMT2A
SCHEMBL9569778 0.78 CNR1 (0.59) CA9CA1CA2CA7MEN1
SCHEMBL9569777 0.78 CA12 (0.57) CA9CA1CA2CA7MEN1
Water SCHEMBL9569771 0.77 CNR1 (0.58) CA9CA1CA2CA7MEN1
SCHEMBL9476568 0.75 CA1 (0.40) CA9CA1CA2CA7MEN1
SCHEMBL9479492 0.75 CA1 (0.40) CA9CA1CA2CA7MEN1
SCHEMBL11539598 0.69 CNR1 (0.54) KMT2ACNR1TP53CTNNB1WNT3A
SCHEMBL9422413 0.69 CA12 (0.50) CA9CA1CA2CA7MEN1
SCHEMBL9524746 0.68 CA2 (0.53) CA9CA1CA2CA7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560554-A2 Antitumor compositions and methods of treatment ELI LILLY AND COMPANY (US) 1993-09-15 EP disclosed
US-5169860-A Benzofuran or benzothiophene arylsulfonylureas ELI LILLY AND COMPANY (US) 1992-12-08 US disclosed