SCHEMBL9530433

SCHEMBL9530433

CNC(=O)C(C)Oc1cc(C2=NN=C(S(C)(=O)=O)C2(C)Cl)c(F)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SCN9A Q15858 3/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PPOX P50336 1/20 0.31
PKM P14618 1/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
MAPT P10636 1/20 0.30
ALOX12 P18054 1/20 0.30
ERBB2 P04626 1/20 0.30

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
SCHEMBL9696140 0.73 LMNA (0.34) LMNATSHRMAPK1SCN9AALDH1A1
SCHEMBL9530440 0.71 LMNA (0.32) LMNATSHRMAPK1SCN9AALDH1A1
SCHEMBL8570497 0.67 GAA (0.35) LMNATSHRMAPK1ALDH1A1KDM4E
SCHEMBL9529358 0.61 KDM4E (0.35) TSHRSCN9AALDH1A1KDM4EHPGD
SCHEMBL7258222 0.61 SCN9A (0.41) LMNAMAPK1SCN9AALDH1A1KDM4E
SCHEMBL31118334 0.61 PPOX (0.40) LMNATSHRMAPK1ALDH1A1KDM4E
SCHEMBL14363848 0.60 SMN1; SMN2 (0.55) LMNATSHRMAPK1ALDH1A1KDM4E
SCHEMBL9696171 0.60 KDM4E (0.34) TSHRALDH1A1KDM4EHPGDPPOX
SCHEMBL9534405 0.60 KDM4E (0.37) TSHRALDH1A1KDM4EHPGDPPOX
SCHEMBL31118302 0.60 KDM4E (0.44) TSHRALDH1A1KDM4EHPGDPPOX

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-0542872-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1993-05-26 EP disclosed