SCHEMBL366072

SCHEMBL366072

N#CCOc1cc(OCCc2ccccc2)c2c(C(=O)O)c3ccccn3c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.37
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALKBH1 Q13686 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
PTGS2 P35354 1/20 0.33
HTT P42858 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL364640 0.92 ALDH1A1 (0.39) FFAR1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL366564 0.92 ALDH1A1 (0.38) FFAR1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL364642 0.91 CYP11B1 (0.40) ALDH1A1KDM4EFNTAFNTBPGGT1B
SCHEMBL367346 0.90 ALDH1A1 (0.37) FFAR1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL365105 0.86 ALDH1A1 (0.43) FFAR1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL365102 0.85 KDM4E (0.41) FFAR1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL365785 0.84 ALDH1A1 (0.38) FFAR1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL367193 0.83 GPR132 (0.38) ALDH1A1KDM4E
SCHEMBL366015 0.83 CYP11B1 (0.37) ALDH1A1KMT2AKDM4EMEN1CYP19A1
SCHEMBL366830 0.82 ALDH1A1 (0.35) ALDH1A1KMT2AKDM4EMEN1MAPT

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
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed