SCHEMBL17797262

SCHEMBL17797262

CC(=O)Nc1cc(-c2ccc(Cl)c(C3CC3)c2F)nc(OC(=O)O)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.34
RIPK1 Q13546 3/20 0.33
RORC P51449 1/20 0.33
ALDH1A1 P00352 1/20 0.33
IGF1R P08069 3/20 0.33
ABL1 P00519 2/20 0.32
GAA P10253 1/20 0.32
NUDT1 P36639 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SCN9A Q15858 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL3838992 0.86 KDM4E (0.35) MAPK14RIPK1RORCALDH1A1IGF1R
SCHEMBL17797229 0.84 FFAR4 (0.34) FFAR4
SCHEMBL17797217 0.82 KDM4E (0.39) RIPK1ALDH1A1ABL1NUDT1KDM4E
SCHEMBL17797206 0.82 RORC (0.35) RIPK1RORCALDH1A1ABL1NUDT1
SCHEMBL17797215 0.82 RIPK1 (0.37) RIPK1RORCALDH1A1ABL1NUDT1
SCHEMBL17797212 0.80 RIPK1 (0.41) RIPK1RORCALDH1A1ABL1NUDT1
SCHEMBL17797202 0.80 RORC (0.35) RIPK1RORCLMNAMAPTSMN1; SMN2
SCHEMBL17797248 0.80 RIPK1 (0.34) RIPK1RORCALDH1A1ABL1NUDT1
SCHEMBL2471045 0.79 ALOX5AP (0.32) ABL1SCN10AFFAR4
SCHEMBL17797211 0.79 RIPK1 (0.34) RIPK1RORCALDH1A1ABL1NUDT1

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-2060566-B1 Poly-substituted aryls DOW AGROSCIENCES LLC (US) 2016-06-08 EP claimed