SCHEMBL15059547

SCHEMBL15059547

CCNC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTK P33981 4/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
JAK2 O60674 5/20 0.34
JAK1 P23458 5/20 0.34
TYK2 P29597 5/20 0.34
JAK3 P52333 3/20 0.33
HSD11B1 P28845 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ELOVL6 Q9H5J4 1/20 0.33
LMNA P02545 1/20 0.32
ORAI1 Q96D31 2/20 0.32
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
HTR2A P28223 1/20 0.31
MCHR1 Q99705 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
SCHEMBL15059546 1.00 TTK (0.36) TTKCA1CA2JAK2JAK1
SCHEMBL12846262 0.94 TTK (0.33) TTKCA1CA2JAK2JAK1
SCHEMBL1795057 0.93 CA1 (0.32) TTKCA1CA2HSD11B1LMNA
SCHEMBL740369 0.93 CA1 (0.34) CA1CA2ELOVL6LMNAORAI1
SCHEMBL119374 0.92 PTGES (0.35) TTKCA1CA2ELOVL6LMNA
SCHEMBL2148165 0.91 CNR1 (0.35) LMNA
Hydrochloric Acid SCHEMBL738507 0.91 CA1 (0.33) CA1CA2ELOVL6LMNAORAI1
SCHEMBL737408 0.91 EGLN1 (0.36) CA1CA2ELOVL6LMNAORAI1
SCHEMBL28908172 0.91 CA1 (0.35) CA1CA2ORAI1
SCHEMBL30233680 0.90 CASP1 (0.39) LMNA

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-2013092460-A1 CYCLIC BISOXIME MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-06-27 WO disclosed