SCHEMBL30296346

SCHEMBL30296346

NS(=O)(=O)c1ccccc1-c1ccccc1COC1CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.39
PRMT6 Q96LA8 2/20 0.39
SCN9A Q15858 8/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA9 Q16790 4/20 0.36
CA6 P23280 3/20 0.36
CA4 P22748 2/20 0.36
CA12 O43570 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
CYP2C9 P11712 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HTR1A P08908 1/20 0.33
EPHX2 P34913 2/20 0.33
P2RX4 Q99571 1/20 0.33

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
SCHEMBL30296375 0.80 CHRNB2 (0.42) SCN9ACA1CA2CA9CA6
SCHEMBL4279787 0.79 CA1 (0.38) ALOX5APFEN1CA1CA2CA9
SCHEMBL30295970 0.79 CA1 (0.38) ALOX5APFEN1CA1CA2CA9
SCHEMBL30296338 0.78 CA1 (0.42) SCN9AALOX5APFEN1CA1CA2
SCHEMBL30296069 0.76 CA2 (0.40) SCN9AALOX5APFEN1CA1CA2
SCHEMBL30296408 0.76 CA2 (0.46) ALOX5APFEN1CA1CA2CA9
SCHEMBL30295779 0.75 EDNRB (0.38) ALOX5APFEN1CA1CA2CA9
SCHEMBL1080972 0.73 CA2 (0.61) ALOX5APFEN1CA1CA2CA9
SCHEMBL9396637 0.73 CA2 (0.48) ALOX5APFEN1CA1CA2CA9
SCHEMBL30839681 0.73 CA2 (0.44) ALOX5APFEN1CA1CA2CA9

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
WO-2023025277-A1 AROMATIC RING-CONTAINING BIOLOGICAL ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-03-02 WO disclosed