SCHEMBL7401142

SCHEMBL7401142

C=CCCC(N=C(c1ccccc1)c1ccccc1)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.50
GAA P10253 1/20 0.43
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 1/20 0.39
MIF P14174 2/20 0.39
TSHR P16473 1/20 0.37
MEN1 O00255 2/20 0.36
AKT1 P31749 1/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 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
SCHEMBL1876173 0.89 AAK1 (0.50) AAK1KMT2AKDM4ETSHRMEN1
SCHEMBL10207290 0.86 AAK1 (0.45) AAK1KMT2AKDM4EMEN1AKT1
SCHEMBL894847 0.86 AAK1 (0.70) AAK1GAAKMT2AKDM4ETSHR
SCHEMBL10166817 0.86 AAK1 (0.70) AAK1GAAKMT2AKDM4ETSHR
SCHEMBL7539409 0.84 AAK1 (0.56) AAK1GAAKMT2AMIFTSHR
SCHEMBL19055964 0.84 AAK1 (0.46) AAK1KMT2AKDM4ETSHRMEN1
SCHEMBL7546027 0.83 AAK1 (0.54) AAK1GAAKMT2AMIFTSHR
SCHEMBL12091642 0.80 AAK1 (0.50) AAK1GAAKMT2AMIFTSHR
SCHEMBL12087979 0.80 AAK1 (0.50) AAK1GAAKMT2AMIFTSHR
SCHEMBL12564392 0.79 AAK1 (0.67) AAK1KMT2AKDM4ETSHRL3MBTL1

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
EP-1183238-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-03-06 EP disclosed
WO-2000069816-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-11-23 WO disclosed