SCHEMBL26066097

SCHEMBL26066097

CC1(O)CCC(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)nc3C3CC3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPV4 Q9HBA0 1/20 0.39
HSD11B1 P28845 2/20 0.39
KDM4E B2RXH2 3/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 6/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CCR1 P32246 2/20 0.36
POLB P06746 1/20 0.36
CXCR3 P49682 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL25369886 0.89 TRPV4 (0.36) MEN1KMT2ATRPV4HSD11B1
SCHEMBL25369892 0.89 TRPV4 (0.36) MEN1KMT2ATRPV4HSD11B1
SCHEMBL26066212 0.88 TRPV4 (0.43) MEN1KMT2ASMN1; SMN2TRPV4HSD11B1
SCHEMBL26066093 0.84 MEN1 (0.41) MEN1KMT2ASMN1; SMN2TRPV4HSD11B1
SCHEMBL26065887 0.79 MEN1 (0.42) MEN1KMT2ASMN1; SMN2TRPV4KDM4E
SCHEMBL26065680 0.79 GCK (0.37) MEN1KMT2ASMN1; SMN2TRPV4HSD11B1
SCHEMBL26066081 0.77 MAPT (0.43) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL25369944 0.77 TRPV4 (0.44) MEN1KMT2ATRPV4HSD11B1KDM4E
SCHEMBL25369939 0.77 TRPV4 (0.44) MEN1KMT2ATRPV4HSD11B1KDM4E
SCHEMBL30567026 0.77 TRPV4 (0.44) MEN1KMT2ATRPV4HSD11B1KDM4E

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