SCHEMBL30005576

SCHEMBL30005576

CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 6/20 0.55
MAPT P10636 5/20 0.52
HTT P42858 2/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.50
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 1/20 0.49
PAX8 Q06710 1/20 0.49
TRPM8 Q7Z2W7 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 0.92 TRPV4 (0.57) TRPV4MAPTHTTLMNAGAA
SCHEMBL30005897 0.87 ALDH1A1 (0.55) TRPV4MAPTHTTLMNAGAA
SCHEMBL30005773 0.87 TRPV4 (0.50) TRPV4MAPTHTTLMNAGAA
SCHEMBL30005853 0.87 TRPV4 (0.57) TRPV4MAPTHTTLMNAGAA
SCHEMBL30005867 0.85 TRPV4 (0.54) TRPV4MAPTHTTLMNAGAA
SCHEMBL30005407 0.84 HTT (0.55) TRPV4MAPTHTTLMNAGAA
SCHEMBL30005315 0.84 TRPV4 (0.53) TRPV4MAPTHTTLMNAGAA
SCHEMBL30005706 0.84 ALDH1A1 (0.66) TRPV4MAPTHTTLMNAGAA
SCHEMBL30005875 0.83 TRPV4 (0.45) TRPV4MAPTHTTLMNAGAA
SCHEMBL23217100 0.82 MAPT (0.70) TRPV4MAPTHTTLMNAGAA

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