SCHEMBL30006441

SCHEMBL30006441

O=C(Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)c1ccccc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
POLB P06746 2/20 0.54
PTGDR Q13258 2/20 0.51
HTT P42858 4/20 0.50
TRPV4 Q9HBA0 1/20 0.50
LMNA P02545 6/20 0.49
ALDH1A1 P00352 4/20 0.49
GAA P10253 3/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
SGMS2 Q8NHU3 1/20 0.49
LRRK2 Q5S007 1/20 0.49
MEN1 O00255 1/20 0.48
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL30005853 0.84 TRPV4 (0.57) MAPTPOLBHTTTRPV4LMNA
SCHEMBL30006605 0.84 TRPV4 (0.57) MAPTPOLBHTTTRPV4LMNA
SCHEMBL30005875 0.83 TRPV4 (0.45) MAPTPTGDRHTTTRPV4LMNA
SCHEMBL30005407 0.83 HTT (0.55) MAPTHTTTRPV4LMNAALDH1A1
SCHEMBL30005576 0.82 TRPV4 (0.55) MAPTPOLBHTTTRPV4LMNA
SCHEMBL30005315 0.81 TRPV4 (0.53) MAPTPOLBHTTTRPV4LMNA
SCHEMBL30005867 0.81 TRPV4 (0.54) MAPTPOLBHTTTRPV4LMNA
SCHEMBL23228915 0.80 LMNA (0.53) MAPTPOLBHTTTRPV4LMNA
SCHEMBL30005897 0.79 ALDH1A1 (0.55) MAPTHTTTRPV4LMNAALDH1A1
SCHEMBL30005706 0.79 ALDH1A1 (0.66) MAPTHTTTRPV4LMNAALDH1A1

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