SCHEMBL2454080

SCHEMBL2454080

NS(=O)(=O)c1ccc(C2(C3(c4ccc(S(N)(=O)=O)c(-c5ccccc5)c4)N=CC(c4ccccc4)=N3)N=C(c3ccccc3)C(c3ccccc3)=N2)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.35
CA1 P00915 10/20 0.35
CA9 Q16790 8/20 0.35
CA12 O43570 4/20 0.35
PTGS2 P35354 3/20 0.34
CA7 P43166 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.32
CA4 P22748 2/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
LRRK2 Q5S007 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL490762 0.78 CA2 (0.56) CA2CA1CA9CA12PTGS2
SCHEMBL2451533 0.69 EGFR (0.39)
SCHEMBL491028 0.68 HTR6 (0.50) CA2CA1CA9CA12TDP1
SCHEMBL2454799 0.67 SCN9A (0.32) PTGS2
SCHEMBL491053 0.61 ALDH1A1 (0.39)
SCHEMBL30687380 0.60 NPC1 (0.46) CA2CA1CA9CA12CA7
SCHEMBL8023017 0.60 NPC1 (0.46) CA2CA1CA9CA12CA7
SCHEMBL3967301 0.60
SCHEMBL27954274 0.60 CA2 (0.65) CA2CA1CA9CA12PTGS2
SCHEMBL4575215 0.60 CA2 (0.79) CA2CA1CA9CA12PTGS2

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
US-20110223540-A1 GUMMING COMPOSITIONS WITH NANO-PARTICLES FOR IMPROVING SCRATCH SENSITIVITY IN IMAGE AND NON-IMAGE AREAS OF LITHOGRAPHIC PRINTING PLATES EASTMAN KODAK COMPANY 2011-09-15 US disclosed