SCHEMBL25371394

SCHEMBL25371394

Cc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CC2(CN(C(=O)O)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.44
▸ BRS3 P32247 9/20 0.35
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CACNA1B Q00975 3/20 0.34
▸ USP9X Q93008 1/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL25368335 0.88 TRPV4 (0.42) TRPV4NAMPT
Trifluoroacetic Acid SCHEMBL25373083 0.83 TRPV4 (0.44) TRPV4BRS3GAAKMT2ANR1I2
SCHEMBL27034279 0.83 TRPV4 (0.44) TRPV4BRS3NR1I2KDM4E
SCHEMBL25371906 0.82 TRPV4 (0.44) TRPV4BRS3GAANR1I2KDM4E
SCHEMBL30567044 0.82 TRPV4 (0.44) TRPV4BRS3GAANR1I2KDM4E
SCHEMBL25369198 0.82 TRPV4 (0.46) TRPV4BRS3NR1I2KDM4E
SCHEMBL25370429 0.82 LMNA (0.33) GAAUSP9XKDM4E
SCHEMBL25371790 0.81 TGM2 (0.39) TRPV4NAMPT
SCHEMBL25370521 0.81 TGM2 (0.39) TRPV4NAMPT
SCHEMBL25369209 0.81 TRPV4 (0.38) TRPV4BRS3KMT2ANAMPT

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-2023164063-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-08-31 — — WO disclosed
Send feedback