SCHEMBL26066093

SCHEMBL26066093

O=S(=O)(c1ccc(C(F)(F)F)nc1C1CC1)N1CCN(C2CCOCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NAMPT P43490 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TRPV4 Q9HBA0 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL26065535 0.87 MEN1 (0.42) MEN1KMT2ANAMPTSMN1; SMN2TRPV4
SCHEMBL25369725 0.86 PSEN1 (0.35) MEN1KMT2ASMN1; SMN2TRPV4ALDH1A1
SCHEMBL26064898 0.86 MEN1 (0.43) MEN1KMT2ANAMPTSMN1; SMN2TRPV4
SCHEMBL26066089 0.86 ALDH1A1 (0.44) MEN1KMT2ANAMPTSMN1; SMN2TRPV4
SCHEMBL26066097 0.84 MEN1 (0.40) MEN1KMT2ASMN1; SMN2TRPV4ALDH1A1
SCHEMBL26066067 0.84 KCNH2 (0.43)
SCHEMBL26065637 0.83 NAMPT (0.38) MEN1KMT2ANAMPTSMN1; SMN2ALDH1A1
SCHEMBL26066128 0.83 MEN1 (0.41) MEN1KMT2ANAMPTSMN1; SMN2TRPV4
SCHEMBL26066126 0.83 MEN1 (0.39) MEN1KMT2ANAMPTSMN1; SMN2TRPV4
SCHEMBL26065530 0.80 HSD11B1 (0.39) MEN1KMT2ANAMPTSMN1; SMN2TRPV4

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