Quisqualate

Quisqualate

SCHEMBL15528499

N[C@@H](Cn1oc(=O)[nH]c1=O)C(=O)O.O=C(O)CCN1NCCO1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.64
GRM5 P41594 2/20 0.64
KDM4E B2RXH2 2/20 0.64
BLM P54132 2/20 0.64
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
ALDH1A1 P00352 1/20 0.64
CYP3A4 P08684 1/20 0.64
NFKB1 P19838 1/20 0.64
MAPK1 P28482 1/20 0.64
CYP2C19 P33261 1/20 0.64
FOLH1 Q04609 1/20 0.64
GRM1 Q13255 1/20 0.64
GRM3 Q14832 1/20 0.64
HIF1A Q16665 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
SLC7A11 Q9UPY5 1/20 0.64
GRM2 Q14416 1/20 0.52
GRIA1 P42261 9/20 0.33
GRIA2 P42262 8/20 0.33

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
Quisqualate SCHEMBL136819 0.80 CYP1A2 (1.00) CYP1A2GRM5KDM4EBLMKMT2A
Quisqualate SCHEMBL3674132 0.80 CYP1A2 (1.00) CYP1A2GRM5KDM4EBLMKMT2A
Quisqualate SCHEMBL27790631 0.79 CYP1A2 (0.97) CYP1A2GRM5KDM4EBLMKMT2A
SCHEMBL14688034 0.73 GLA (0.42) CYP1A2KMT2AMEN1ALDH1A1MAPK1
Quisqualate SCHEMBL7928396 0.71 FOLH1 (0.64) CYP1A2GRM5KDM4EBLMKMT2A
SCHEMBL31532299 0.70 GRM5 (1.00) CYP1A2GRM5KDM4EBLMKMT2A
SCHEMBL31532300 0.65 GRM5 (0.55) CYP1A2GRM5KDM4EBLMKMT2A
SCHEMBL26036945 0.59 GRM5 (0.58) CYP1A2GRM5KDM4EBLMKMT2A
SCHEMBL14255773 0.58 ALDH1A1 (0.56) CYP1A2GRM5KDM4EBLMKMT2A
SCHEMBL12648453 0.56 GRM5 (0.54) CYP1A2GRM5KDM4EBLMKMT2A

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-2844756-A1 MODULATING IMMUNE RESPONSES Barber, Glen N. (US) 2015-03-11 EP disclosed
WO-2013166000-A1 MODULATING IMMUNE RESPONSES BARBER GLEN N (US) 2013-11-07 WO disclosed