SCHEMBL9536259

SCHEMBL9536259

Cc1onc(-c2c(F)cccc2Cl)c1OC(=O)Nc1ccccc1OC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.50
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
SCN9A Q15858 2/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 4/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 2/20 0.47
PRNP P04156 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ATM Q13315 2/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL9536336 0.86 SCN9A (0.54) LMNASMN1; SMN2SCN9AKMT2AMEN1
SCHEMBL9534217 0.78 TP53 (0.51) PTGS2LMNASMN1; SMN2SCN9AKMT2A
SCHEMBL5242736 0.77 ALDH1A1 (0.58) LMNASMN1; SMN2SCN9AKMT2AMEN1
SCHEMBL9536365 0.77 LMNA (0.57) LMNASMN1; SMN2SCN9AKMT2AMEN1
SCHEMBL9537042 0.72 SMN1; SMN2 (0.54) LMNASMN1; SMN2SCN9AKMT2AMEN1
SCHEMBL9537484 0.72 LMNA (0.52) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL9537606 0.71 KDM4E (0.50) LMNASMN1; SMN2SCN9AKMT2AALDH1A1
SCHEMBL9535763 0.71 KMT2A (0.58) PTGS2LMNASMN1; SMN2SCN9AKMT2A
SCHEMBL9535614 0.70 TSHR (0.53) PTGS2LMNASMN1; SMN2SCN9AKMT2A
SCHEMBL12584906 0.70 SCN9A (0.67) LMNASMN1; SMN2SCN9AKMT2AMEN1

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-0573883-A1 Utilization of 3 substituted aryl-5-alkyl-isoxazole-4-carboxylic acid derivatives against endoparasites new 3-substituted aryl-5-alkyl-isoxazole-4-carboxylic acid derivatives and process for their preparation BAYER AG (DE) 1993-12-15 EP disclosed