SCHEMBL9687893

SCHEMBL9687893

COC(=O)c1ccc(C(F)(F)F)cc1NS(C)(=O)=O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.65
HSD17B10 Q99714 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
CFTR P13569 1/20 0.58
TSHR P16473 1/20 0.50
ACLY P53396 1/20 0.48
HPGD P15428 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
MCL1 Q07820 1/20 0.46
MAPK10 P53779 1/20 0.46
KDM1A O60341 1/20 0.45
TRPV1 Q8NER1 2/20 0.44
KIF11 P52732 2/20 0.44
PIK3CG P48736 1/20 0.43
SLC22A12 Q96S37 1/20 0.42

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
SCHEMBL23226777 0.89 KDM4E (0.59) KDM4EHSD17B10SMN1; SMN2CFTRTSHR
SCHEMBL3744782 0.89 CFTR (0.55) KDM4EHSD17B10SMN1; SMN2CFTRTSHR
SCHEMBL21111046 0.87 CFTR (0.57) KDM4EHSD17B10SMN1; SMN2CFTRACLY
SCHEMBL7552302 0.85 ACLY (0.64) KDM4EHSD17B10SMN1; SMN2ACLYHPGD
SCHEMBL23141175 0.85 CFTR (0.55) KDM4EHSD17B10SMN1; SMN2CFTRACLY
SCHEMBL23141176 0.83 ALDH1A1 (0.61) KDM4EHSD17B10SMN1; SMN2CFTRACLY
SCHEMBL1450639 0.82 FFAR4 (0.57) KDM4EHSD17B10SMN1; SMN2CFTRACLY
SCHEMBL7559128 0.82 KDM4E (0.63) KDM4EHSD17B10SMN1; SMN2CFTRTSHR
SCHEMBL3378756 0.81 KIF11 (0.54) KDM4EHSD17B10SMN1; SMN2CFTRTSHR
SCHEMBL23141173 0.81 KDM1A (0.56) KDM4EHSD17B10CFTRACLYHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506709-A1 ARTHROPODICIDAL PYRAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-07 EP disclosed
WO-1991008207-A1 ARTHROPODICIDAL PYRAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-06-13 WO disclosed