SCHEMBL8698654

SCHEMBL8698654

N=C(N)Nc1cccc(-c2ccc(CCC(=O)O)c(N)c2S(=O)(=O)c2ccccc2NC=O)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.34
PTGER4 P35408 2/20 0.34
PTGER3 P43115 2/20 0.34
PTGER2 P43116 2/20 0.34
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
F10 P00742 2/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
FFAR1 O14842 3/20 0.31
FFAR4 Q5NUL3 3/20 0.31
ENPP2 Q13822 1/20 0.30
PRSS1 P07477 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
SCHEMBL8696209 0.83 ATR (0.34) HDAC6HDAC1ITGB3ITGA2BF10
SCHEMBL8428906 0.76 ITGB3 (0.39) PTGER1PTGER4PTGER3PTGER2ITGB3
SCHEMBL8429316 0.76 ITGB3 (0.39) PTGER1PTGER4PTGER3PTGER2ITGB3
SCHEMBL8432900 0.75 PTGER4 (0.40) PTGER1PTGER4PTGER3PTGER2HDAC6
SCHEMBL8432519 0.75 PTGER4 (0.45) PTGER1PTGER4PTGER3PTGER2ITGB3
Propionic Acid SCHEMBL8698740 0.74 HDAC1 (0.33) HDAC6HDAC1ITGB3F10
SCHEMBL8532986 0.74 PTGER4 (0.42) PTGER1PTGER4PTGER3PTGER2ITGB3
SCHEMBL8432805 0.73 ITGB3 (0.37) PTGER1PTGER4PTGER3PTGER2HDAC6
SCHEMBL8432812 0.73 ITGB3 (0.39) PTGER1PTGER4PTGER3PTGER2ITGB3
SCHEMBL8428884 0.72 ITGB3 (0.42) ITGB3ITGA2BKMT2ACA1CA2

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-5843906-A Meta-substituted phenylene sulphonamide derivatives G. D. SEARLE & CO. (US) 1998-12-01 US disclosed