SCHEMBL26065205

SCHEMBL26065205

Cc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(CC2(O)CCOCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TRPV4 Q9HBA0 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CNR2 P34972 4/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CNR1 P21554 3/20 0.37
▸ GAA P10253 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ OPRM1 P35372 2/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ PDE2A O00408 2/20 0.36
▸ PDE10A Q9Y233 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CASP3 P42574 1/20 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
SCHEMBL26065732 0.89 TRPV4 (0.39) SMN1; SMN2TRPV4CNR2NPC1CNR1
SCHEMBL26066057 0.89 KCNH2 (0.43) SMN1; SMN2TRPV4MEN1KMT2ACNR2
SCHEMBL25370681 0.88 TRPV4 (0.42) SMN1; SMN2TRPV4MEN1KMT2ACNR2
SCHEMBL26065808 0.82 TRPV4 (0.40) TRPV4MEN1KMT2ACNR2NPC1
SCHEMBL25370438 0.82 TRPV4 (0.37) SMN1; SMN2TRPV4MEN1KMT2ACNR2
SCHEMBL26065214 0.82 KDM4E (0.41) SMN1; SMN2TRPV4MEN1KMT2ACNR2
SCHEMBL26065772 0.81 TRPV4 (0.40) TRPV4MEN1KMT2AGAAALDH1A1
SCHEMBL26065199 0.80 TRPV4 (0.37) TRPV4MEN1KMT2ACNR2CNR1
SCHEMBL26065889 0.80 EBP (0.44) TRPV4CNR2CNR1
SCHEMBL26065980 0.79 POLB (0.54) SMN1; SMN2TRPV4MEN1KMT2AGAA

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