SCHEMBL6270670

SCHEMBL6270670

Cc1ccc([C@H](O)CN(CCc2ccc(S(=O)(=O)c3ccc(OCc4ccccc4)c(C(=O)O)c3)cc2)Cc2ccccc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.39
FOLH1 Q04609 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP51A1 Q16850 3/20 0.36
BCHE P06276 1/20 0.35
NAMPT P43490 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ABCB1 P08183 1/20 0.35
LTB4R Q15722 2/20 0.34
LTB4R2 Q9NPC1 2/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6270671 1.00 LRRK2 (0.39) LRRK2FOLH1L3MBTL1MEN1KMT2A
SCHEMBL6271197 0.94 MEN1 (0.41) LRRK2L3MBTL1MEN1KMT2ACYP51A1
SCHEMBL6271195 0.94 MEN1 (0.41) LRRK2L3MBTL1MEN1KMT2ACYP51A1
SCHEMBL6269807 0.93 LRRK2 (0.42) LRRK2L3MBTL1MEN1KMT2ACYP51A1
SCHEMBL6274196 0.93 LRRK2 (0.37) LRRK2L3MBTL1MEN1KMT2ACYP51A1
SCHEMBL6274200 0.93 LRRK2 (0.37) LRRK2L3MBTL1MEN1KMT2ACYP51A1
SCHEMBL6269805 0.93 LRRK2 (0.42) LRRK2L3MBTL1MEN1KMT2ACYP51A1
SCHEMBL6269814 0.90 LRRK2 (0.40) LRRK2L3MBTL1NAMPTALDH1A1POLB
SCHEMBL6269808 0.90 LRRK2 (0.40) LRRK2L3MBTL1NAMPTALDH1A1POLB
SCHEMBL6267141 0.87 FOLH1 (0.40) LRRK2FOLH1L3MBTL1MEN1KMT2A

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