SCHEMBL4435446

SCHEMBL4435446

COc1cccc(C(CCc2ccc(C(F)(F)F)cc2)N[S+]([O-])C(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TMEM97 Q5BJF2 2/20 0.33
KCNH2 Q12809 1/20 0.33
SORT1 Q99523 1/20 0.33
ACP1 P24666 1/20 0.32
FDFT1 P37268 2/20 0.32
CASR P41180 4/20 0.31
PHGDH O43175 2/20 0.31
KCNK3 O14649 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL4428090 0.80 KCNH2 (0.41) MEN1KMT2ATMEM97KCNH2CASR
SCHEMBL4428027 0.79 CASR (0.48) MEN1KMT2ATMEM97CASR
SCHEMBL4440361 0.78 MEN1 (0.53) MEN1KMT2ATMEM97KCNH2ACP1
SCHEMBL3730902 0.77 MEN1 (0.43) MEN1KMT2ATMEM97KCNH2SORT1
SCHEMBL4429764 0.75 CASR (0.41) MEN1KMT2ATMEM97CASR
SCHEMBL2320170 0.74 CCR3 (0.42) MEN1KMT2ATMEM97KCNH2
SCHEMBL8163235 0.73 KCNH2 (0.51) MEN1KMT2ATMEM97KCNH2FDFT1
SCHEMBL14238201 0.72 HCRTR1 (0.37) MEN1KMT2AKCNH2SORT1CASR
SCHEMBL3732574 0.72 HCRTR1 (0.43)
SCHEMBL3732570 0.72 HCRTR1 (0.43)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed