SCHEMBL6273586

SCHEMBL6273586

CN(C)C(=O)c1cc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)C[C@H](O)c3cccc(Cl)c3)cc2)ccc1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LTB4R Q15722 2/20 0.36
LTB4R2 Q9NPC1 2/20 0.36
ADRB1 P08588 1/20 0.36
ACP1 P24666 1/20 0.35
PTPN12 Q05209 1/20 0.35
PTPN13 Q12923 1/20 0.35
SSU72 Q9NP77 1/20 0.35
ADRB3 P13945 3/20 0.35
SLC1A5 Q15758 1/20 0.35
CNR1 P21554 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 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
SCHEMBL6273590 1.00 MEN1 (0.37) MEN1KMT2AKCNH2L3MBTL1ALDH1A1
SCHEMBL6267508 0.92 FOLH1 (0.39) MEN1KMT2AKCNH2ADRB1ACP1
SCHEMBL6267511 0.92 FOLH1 (0.39) MEN1KMT2AKCNH2ADRB1ACP1
SCHEMBL6267977 0.91 PTPN2 (0.40) MEN1KMT2AKCNH2L3MBTL1ALDH1A1
SCHEMBL6267975 0.91 PTPN2 (0.40) MEN1KMT2AKCNH2L3MBTL1ALDH1A1
SCHEMBL6272918 0.91 KMT2A (0.39) MEN1KMT2AKCNH2L3MBTL1ALDH1A1
SCHEMBL6272922 0.91 KMT2A (0.39) MEN1KMT2AKCNH2L3MBTL1ALDH1A1
SCHEMBL6273370 0.89 LRRK2 (0.39) KMT2AKCNH2ADRB1ADRB3CNR1
SCHEMBL6272451 0.89 KCNH2 (0.40) KCNH2ADRB1ADRB3
SCHEMBL6273369 0.89 LRRK2 (0.39) KMT2AKCNH2ADRB1ADRB3CNR1

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-2005110981-A1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-11-24 WO disclosed