SCHEMBL26065214

SCHEMBL26065214

Cc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(C2(C)CCOCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ TRPV4 Q9HBA0 1/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ ABL1 P00519 2/20 0.38
▸ BCR P11274 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ABCC9 O60706 1/20 0.36
▸ ABCC8 Q09428 1/20 0.36
▸ KCNJ11 Q14654 1/20 0.36
▸ KCNJ8 Q15842 1/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ MEN1 O00255 2/20 0.36

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
SCHEMBL25370147 0.88 TRPV4 (0.41) KDM4ETRPV4CASP3SMN1; SMN2
SCHEMBL26065216 0.86 TRPV4 (0.42) KDM4ETRPV4CASP3ALDH1A1ABL1
SCHEMBL26065732 0.85 TRPV4 (0.39) KDM4ETRPV4CASP3ALDH1A1SMN1; SMN2
SCHEMBL26065760 0.84 CNR1 (0.37) KDM4ETRPV4CASP3ALDH1A1ABL1
SCHEMBL26066057 0.83 KCNH2 (0.43) KDM4ETRPV4CASP3ALDH1A1SMN1; SMN2
SCHEMBL26065205 0.82 SMN1; SMN2 (0.43) KDM4ETRPV4CASP3ALDH1A1SMN1; SMN2
SCHEMBL26064898 0.80 MEN1 (0.43) KDM4ETRPV4ALDH1A1SMN1; SMN2KMT2A
SCHEMBL26065808 0.78 TRPV4 (0.40) KDM4ETRPV4ALDH1A1KMT2ACNR1
SCHEMBL25363280 0.78 SMN1; SMN2 (0.39) KDM4ETRPV4CASP3ALDH1A1SMN1; SMN2
SCHEMBL25369092 0.77 TRPV4 (0.40) KDM4ETRPV4CASP3ALDH1A1SMN1; SMN2

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
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