SCHEMBL28958586

SCHEMBL28958586

C#Cc1ccc(NOS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PTPN1 P18031 2/20 0.37
CYP2C9 P11712 3/20 0.36
SLC22A12 Q96S37 1/20 0.33
PTPN11 Q06124 1/20 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
SCHEMBL8854036 0.78 CA2 (0.39) CA2CA12CA1CA9PTPN1
SCHEMBL28958520 0.76 CA1 (0.48) CA2CA12CA1CA4CA9
SCHEMBL28958511 0.75 CYP2C9 (0.44) CA2CA12CA1CA4CA9
SCHEMBL28498204 0.75 CA1 (0.47) CA2CA12CA1CA9PTPN1
SCHEMBL28958553 0.73 TDP1 (0.38) CA2PTPN1PTPN11
SCHEMBL28502057 0.72 CA2 (0.47) CA2CA12CA1CA4CA9
SCHEMBL28822040 0.69 HDAC8 (0.39) CA2CA12CA1CA4CA9
SCHEMBL29768248 0.66 HDAC8 (0.36) CA2CA12CA1CA4CA9
SCHEMBL2097734 0.64 CA1 (0.35) CA2CA1
SCHEMBL478987 0.63 KEAP1 (0.54) CA2CA12CA1CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115589736-A Perovskite composite layer and solar cell 嘉庚创新实验室 2023-01-10 CN disclosed