SCHEMBL26065408

SCHEMBL26065408

Cc1nc(C(C)(C)F)ccc1S(=O)(=O)N1CCN(C2CCOCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NAMPT P43490 3/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL26064898 0.93 MEN1 (0.43) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL26065806 0.87 MEN1 (0.39) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL25371314 0.86 TRPV4 (0.36) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL26065298 0.83 NAMPT (0.39) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL26065151 0.83 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL30719538 0.82 TRPV4 (0.41) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL30719488 0.82 TRPV4 (0.41) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL30719489 0.82 TRPV4 (0.41) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL30719505 0.82 TRPV4 (0.41) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL27346458 0.82 TRPV4 (0.41) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A

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