SCHEMBL3638771

SCHEMBL3638771

CCCNC(=O)CON=C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1.N#Cc1cccc(C(ON=C2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)C(=O)N2CCOCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR6 P46095 1/20 0.34
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL2289643 0.89 MEN1 (0.39) KMT2AMAPTGPR6MEN1
SCHEMBL12420246 0.80 ALB (0.42) ALDH1A1L3MBTL1SMN1; SMN2GAA
SCHEMBL2290513 0.79 MAPT (0.52) KMT2AALDH1A1MAPTPOLBGAA
SCHEMBL4393229 0.77 MEN1 (0.39) KMT2AALDH1A1POLBL3MBTL1USP2
SCHEMBL4379436 0.75 MEN1 (0.43) KMT2AALDH1A1GPR6GAAMEN1
SCHEMBL4379541 0.73 MEN1 (0.41) KMT2AALDH1A1MAPTPOLBHTT
SCHEMBL2292550 0.73 EPHX2 (0.44) KMT2AALDH1A1MAPTPOLBGAA
SCHEMBL4379516 0.72 MEN1 (0.40) KMT2AALDH1A1MAPTPOLBHTT
SCHEMBL4388230 0.72 MEN1 (0.46) KMT2AALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL4382730 0.72 MEN1 (0.42) KMT2AGPR6GAAMEN1

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-2164326-A1 AMIDE COMPOUNDS AND THE USE THEREOF Euro-Celtique, S.A. (LU) 2010-03-24 EP disclosed
WO-2008150447-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2008-12-11 WO disclosed