SCHEMBL7378564

SCHEMBL7378564

N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 1.00
MEN1 O00255 6/20 1.00
MAPT P10636 6/20 1.00
KMT2A Q03164 6/20 1.00
KDM4E B2RXH2 6/20 1.00
ALDH1A1 P00352 6/20 1.00
HPGD P15428 6/20 1.00
MAPK1 P28482 6/20 1.00
CYP3A4 P08684 5/20 1.00
ALOX15 P16050 5/20 1.00
ALOX12 P18054 5/20 1.00
RECQL P46063 5/20 1.00
BLM P54132 5/20 1.00
HSD17B10 Q99714 5/20 1.00
TDP1 Q9NUW8 5/20 1.00
CYP1A2 P05177 4/20 1.00
TP53 P04637 4/20 1.00
NFKB1 P19838 4/20 1.00
PMP22 Q01453 4/20 1.00
SMN1; SMN2 Q16637 4/20 1.00

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
SCHEMBL645290 0.93 EGFR (1.00) EGFRMEN1MAPTKMT2AKDM4E
SCHEMBL29378814 0.93 EGFR (1.00) EGFRMEN1MAPTKMT2AKDM4E
SCHEMBL645291 0.93 EGFR (1.00) EGFRMEN1MAPTKMT2AKDM4E
SCHEMBL29376415 0.92 EGFR (1.00) EGFRMEN1MAPTKMT2AKDM4E
SCHEMBL3486952 0.92 EGFR (1.00) EGFRMEN1MAPTKMT2AKDM4E
SCHEMBL6055311 0.92 EGFR (1.00) EGFRMEN1MAPTKMT2AKDM4E
SCHEMBL2533402 0.92 EGFR (1.00) EGFRMEN1MAPTKMT2AKDM4E
Tyrphostin Ag 490 SCHEMBL93682 0.88 EGFR (1.00) EGFRMEN1MAPTKMT2AKDM4E
Tyrphostin Ag 490 SCHEMBL93683 0.88 EGFR (1.00) EGFRMEN1MAPTKMT2AKDM4E
Tyrphostin Ag 490 SCHEMBL29379893 0.88 EGFR (1.00) EGFRMEN1MAPTKMT2AKDM4E

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-1997023202-A1 SUBTYPE-SELECTIVE NMDA RECEPTOR LIGANDS AND THE USE THEREOF STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and on behalf of THE OREGON HEALTH SCIENCES UNIVERSITYA ND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-07-03 WO disclosed