SCHEMBL30005295

SCHEMBL30005295

O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(C3CCC3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.63
HTT P42858 1/20 0.63
RECQL P46063 1/20 0.63
LMNA P02545 2/20 0.61
ALDH1A1 P00352 2/20 0.61
ACHE P22303 1/20 0.60
EPHX2 P34913 1/20 0.60
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
HSD11B1 P28845 1/20 0.51
PARL Q9H300 1/20 0.50

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
SCHEMBL16912986 0.86 SMN1; SMN2 (0.64) SMN1; SMN2HTTRECQLLMNAALDH1A1
SCHEMBL21681941 0.85 ALDH1A1 (0.74) SMN1; SMN2HTTRECQLLMNAALDH1A1
SCHEMBL7485956 0.85 ALDH1A1 (0.79) SMN1; SMN2HTTRECQLLMNAALDH1A1
SCHEMBL1519692 0.85 ALDH1A1 (0.69) SMN1; SMN2HTTRECQLLMNAALDH1A1
SCHEMBL14055643 0.84 SMN1; SMN2 (0.63) SMN1; SMN2HTTRECQLLMNAALDH1A1
SCHEMBL16912996 0.84 EPHX2 (0.63) SMN1; SMN2HTTRECQLLMNAALDH1A1
SCHEMBL854322 0.84 SMN1; SMN2 (0.63) SMN1; SMN2HTTRECQLLMNAALDH1A1
SCHEMBL3691866 0.83 ALDH1A1 (0.82) SMN1; SMN2HTTLMNAALDH1A1EPHX2
SCHEMBL1269605 0.83 ALDH1A1 (0.82) SMN1; SMN2HTTLMNAALDH1A1EPHX2
SCHEMBL7130169 0.82 SMN1; SMN2 (0.60) SMN1; SMN2HTTRECQLLMNAALDH1A1

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
WO-2022220725-A1 LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS ZAMARATSKI EDOUARD (SE) 2022-10-20 WO disclosed