SCHEMBL2320179

SCHEMBL2320179

O=[C]c1cccc(Nc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
MAPT P10636 6/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
AR P10275 1/20 0.60
HSD17B10 Q99714 5/20 0.50
TDP1 Q9NUW8 4/20 0.50
CYP3A4 P08684 4/20 0.50
TSHR P16473 3/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALOX12 P18054 2/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALOX15 P16050 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48

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
SCHEMBL2324651 0.80 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL6156438 0.79 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL8189003 0.79 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL8724146 0.77 MAPT (0.43) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL95531 0.77 TSHR (0.42) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL678299 0.77 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL2321667 0.76 FFAR1 (0.48) MEN1KMT2ACYP3A4PTPN11HTT
SCHEMBL7379264 0.74 KCNK3 (0.71) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL28886 0.74 APP (0.35) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL4098064 0.73 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AHSD17B10

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-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed