SCHEMBL30005853

SCHEMBL30005853

O=C(Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)c1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.57
P2RX1 P51575 1/20 0.55
HTT P42858 3/20 0.55
MAPT P10636 5/20 0.54
LMNA P02545 3/20 0.54
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 3/20 0.52
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.51

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 0.91 TRPV4 (0.57) TRPV4HTTMAPTLMNAGAA
SCHEMBL30005407 0.88 HTT (0.55) TRPV4HTTMAPTLMNAGAA
SCHEMBL30005576 0.87 TRPV4 (0.55) TRPV4HTTMAPTLMNAGAA
SCHEMBL30005706 0.86 ALDH1A1 (0.66) TRPV4HTTMAPTLMNAGAA
SCHEMBL30005867 0.86 TRPV4 (0.54) TRPV4HTTMAPTLMNAGAA
SCHEMBL30005897 0.86 ALDH1A1 (0.55) TRPV4HTTMAPTLMNAGAA
SCHEMBL30005315 0.84 TRPV4 (0.53) TRPV4HTTMAPTLMNAGAA
SCHEMBL23217100 0.84 MAPT (0.70) TRPV4HTTMAPTLMNAGAA
SCHEMBL30006441 0.84 MAPT (0.60) TRPV4HTTMAPTLMNAGAA
SCHEMBL30005773 0.84 TRPV4 (0.50) TRPV4HTTMAPTLMNAGAA

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