SCHEMBL9530440

SCHEMBL9530440

CNC(=O)C(C)Oc1cc(-c2n[nH]c(S(C)(=O)=O)c2CCl)c(F)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 3/20 0.31
ERBB2 P04626 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALPL P05186 1/20 0.31
SCN9A Q15858 2/20 0.30
PPOX P50336 1/20 0.30
MAPT P10636 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
SCHEMBL9530495 0.90 NR1H4 (0.36) TSHRKDM4EALDH1A1HPGDALPL
SCHEMBL9529630 0.75 ATM (0.33) SCN9A
SCHEMBL9533348 0.75 ATM (0.33) SCN9A
SCHEMBL9696140 0.75 LMNA (0.34) LMNASMN1; SMN2TSHRMAPK1TDP1
SCHEMBL9532828 0.71 ACLY (0.32)
SCHEMBL9530433 0.71 LMNA (0.34) LMNASMN1; SMN2TSHRMAPK1HTT
SCHEMBL8570497 0.69 GAA (0.35) LMNASMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL9534405 0.64 KDM4E (0.37) TSHRKDM4EALDH1A1HPGDPPOX
SCHEMBL9529358 0.64 KDM4E (0.35) TSHRKDM4EALDH1A1HPGDSCN9A
SCHEMBL9530763 0.62 PPOX (0.38) SMN1; SMN2ALDH1A1GAAPPOX

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