SCHEMBL29948581

SCHEMBL29948581

NS(=O)(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.46
CA2 P00918 15/20 0.43
CA9 Q16790 9/20 0.43
CA12 O43570 8/20 0.43
CA1 P00915 9/20 0.42
CA5A P35218 5/20 0.42
CA7 P43166 5/20 0.42
CA5B Q9Y2D0 5/20 0.42
CA6 P23280 4/20 0.42
CA4 P22748 4/20 0.42
CA13 Q8N1Q1 3/20 0.42
CA14 Q9ULX7 3/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AGO2 Q9UKV8 1/20 0.42
CA3 P07451 3/20 0.41
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
PLA2G7 Q13093 1/20 0.39

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
SCHEMBL23536020 0.83 KIF11 (0.44) KIF11TDP1ALDH1A1
SCHEMBL18007679 0.80 CA2 (0.50) CA2CA9CA12CA1CA5A
SCHEMBL14655026 0.74 KIF11 (0.49) KIF11TSHRTDP1ALDH1A1
SCHEMBL20336329 0.73 KIF11 (0.61) KIF11
SCHEMBL11120807 0.72 CA2 (0.45) CA2CA9CA12CA1CA5A
SCHEMBL2438979 0.70 KIF11 (0.58) KIF11CA2CA1TSHRTDP1
SCHEMBL13619662 0.70 KIF11 (0.45) KIF11CA2CA9CA1CA5A
SCHEMBL22587365 0.70 KIF11 (0.45) KIF11
SCHEMBL4659933 0.70 KIF11 (0.45) KIF11
SCHEMBL20261725 0.70 KIF11 (0.45) KIF11

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
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed