SCHEMBL30699896

SCHEMBL30699896

Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1NS(=O)(=O)CCl

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.33
F2 P00734 3/20 0.32
F10 P00742 3/20 0.32
PRSS1 P07477 3/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL30699976 0.86 CTPS1 (0.34) KIF11F2F10PRSS1TP53
SCHEMBL1468064 0.81 RECQL (0.37) MAPTCA1CA2
SCHEMBL15741917 0.81 CA1 (0.30) CA1CA2
SCHEMBL716087 0.81 CA1 (0.31) MAPTCA1CA2
SCHEMBL16256428 0.81 NOTUM (0.32) MAPTCA1CA2
SCHEMBL23784635 0.80 RECQL (0.32) CA1CA2
SCHEMBL30700119 0.80 TRPV1 (0.37) KIF11
SCHEMBL30700132 0.80 SMN1; SMN2 (0.41) F2F10PRSS1TP53CA1
SCHEMBL3359275 0.80 PDE3B (0.40) MAPTCA1CA2
SCHEMBL536510 0.80 PDE3B (0.36) MAPTCA1CA2

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-116874440-A Synthesis and application of isoxazoline-containing derivative 贵州大学 2023-10-13 CN disclosed