SCHEMBL30005407

SCHEMBL30005407

O=C(Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)c1ccccc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.55
TRPV4 Q9HBA0 4/20 0.54
LMNA P02545 5/20 0.52
MAPT P10636 6/20 0.52
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 3/20 0.51
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
F13A1 P00488 1/20 0.49
TGM2 P21980 1/20 0.49
TGM1 P22735 1/20 0.49

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
SCHEMBL30006605 0.88 TRPV4 (0.57) HTTTRPV4LMNAMAPTALDH1A1
SCHEMBL30005853 0.88 TRPV4 (0.57) HTTTRPV4LMNAMAPTALDH1A1
SCHEMBL30005576 0.84 TRPV4 (0.55) HTTTRPV4LMNAMAPTALDH1A1
SCHEMBL30005706 0.83 ALDH1A1 (0.66) HTTTRPV4LMNAMAPTALDH1A1
SCHEMBL30005867 0.83 TRPV4 (0.54) HTTTRPV4LMNAMAPTALDH1A1
SCHEMBL30005897 0.83 ALDH1A1 (0.55) HTTTRPV4LMNAMAPTALDH1A1
SCHEMBL30006441 0.83 MAPT (0.60) HTTTRPV4LMNAMAPTALDH1A1
SCHEMBL30005773 0.83 TRPV4 (0.50) HTTTRPV4LMNAMAPTALDH1A1
SCHEMBL23217016 0.83 HTT (0.60) HTTTRPV4LMNAMAPTALDH1A1
SCHEMBL30005315 0.82 TRPV4 (0.53) HTTTRPV4LMNAMAPTALDH1A1

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