SCHEMBL21177396

SCHEMBL21177396

CCOC(=O)c1ccc(S(C)(=O)=O)c(CO/N=C\CN(C)C)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA12 O43570 3/20 0.33
CA9 Q16790 3/20 0.33
CA7 P43166 2/20 0.33
CA14 Q9ULX7 2/20 0.33
TSHR P16473 4/20 0.33
GAA P10253 2/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGFR P00533 1/20 0.33
ALDH1A1 P00352 3/20 0.32
POLB P06746 1/20 0.32
MAPK10 P53779 1/20 0.32
MAPT P10636 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
XBP1 P17861 2/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL21177394 0.81 CA1 (0.34) CA1CA2CA12CA9CA7
SCHEMBL31121872 0.75 CYP4F2 (0.47) CA1CA2CA12CA9CA7
SCHEMBL21177157 0.75 CYP4F2 (0.47) CA1CA2CA12CA9CA7
SCHEMBL21179401 0.75 TSHR (0.46) CA1CA2CA12CA9CA7
SCHEMBL28449326 0.74 CA1 (0.35) CA1CA2CA12CA9CA7
SCHEMBL21179378 0.73 CA1 (0.37) CA1CA2CA12CA9CA7
SCHEMBL21177214 0.73 TSHR (0.40) CA1CA2CA12CA9CA7
SCHEMBL21177175 0.72 CA1 (0.33) CA1CA2CA12CA9CA7
SCHEMBL22918491 0.71 SMN1; SMN2 (0.43) CA1CA2CA12CA9CA7
SCHEMBL21179439 0.71 MAPT (0.35) CA1CA2CA12CA9TSHR

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-3740470-A1 AMIDINE SUBSTITUTED BENZOYL DERIVATIVES USEFUL AS HERBICIDES Syngenta Crop Protection AG (CH) 2020-11-25 EP disclosed
WO-2019141740-A1 AMIDINE SUBSTITUTED BENZOYL DERIVATIVES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2019-07-25 WO disclosed