SCHEMBL28958520

SCHEMBL28958520

C#Cc1ccc(NOS(=O)(=O)c2ccc(C#C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.48
CA2 P00918 6/20 0.48
CA12 O43570 5/20 0.48
CA9 Q16790 5/20 0.48
CA14 Q9ULX7 2/20 0.48
CA4 P22748 2/20 0.48
CYP2C9 P11712 5/20 0.41
PRMT1 Q99873 1/20 0.34
IDO1 P14902 1/20 0.31
CA7 P43166 1/20 0.31
PTPN6 P29350 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
SCHEMBL28958511 0.92 CYP2C9 (0.44) CA1CA2CA12CA9CA14
SCHEMBL28958586 0.76 CA2 (0.38) CA1CA2CA12CA9CA14
SCHEMBL16006251 0.76 ALDH1A1 (0.48) CA1CA2CA12CA9CYP2C9
SCHEMBL28822040 0.72 HDAC8 (0.39) CA1CA2CA12CA9CA14
SCHEMBL28958526 0.71 TDP1 (0.48) CA1CA2CA12CA9PRMT1
SCHEMBL22187497 0.71 KEAP1 (0.48) CA1CA2CA12CA9CA14
SCHEMBL28475979 0.70 CA2 (0.59) CA1CA2CA12CA9CA14
SCHEMBL3843538 0.69 CA12 (0.67) CA1CA2CA12CA9CA14
SCHEMBL11051987 0.69 MEN1 (0.55) CA1CA2CA12CA9CA14
SCHEMBL2779354 0.69 ENPP3 (0.52) CA1CA2CA12CA9CA14

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