SCHEMBL9844853

SCHEMBL9844853

CN(Cc1cc2c(O)nc(N)nc2[nH]1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLR1 P15328 9/20 0.62
SLC46A1 Q96NT5 7/20 0.62
DHFR P00374 5/20 0.61
GART P22102 8/20 0.57
FOLR2 P14207 5/20 0.57
SLC19A1 P41440 3/20 0.57
TYMS P04818 2/20 0.57
KDM4E B2RXH2 1/20 0.57
TLR4 O00206 1/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
GLA P06280 1/20 0.57
POLB P06746 1/20 0.57
HMGB1 P09429 1/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
ALOX12 P18054 1/20 0.57

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
SCHEMBL9844870 0.85 FOLR1 (0.62) FOLR1SLC46A1DHFRGARTFOLR2
SCHEMBL9844849 0.84 GART (0.67) FOLR1SLC46A1DHFRGARTFOLR2
SCHEMBL6337570 0.83 DHFR (0.77) FOLR1SLC46A1DHFRGARTFOLR2
SCHEMBL9844786 0.82 DHFR (0.60) FOLR1SLC46A1DHFRGARTFOLR2
SCHEMBL9224790 0.82 GART (0.64) FOLR1SLC46A1DHFRGARTFOLR2
SCHEMBL9844739 0.81 DHFR (0.62) FOLR1SLC46A1DHFRGARTFOLR2
SCHEMBL9223840 0.80 GART (0.72) FOLR1SLC46A1DHFRGARTFOLR2
SCHEMBL15056395 0.79 DHFR (0.68) FOLR1SLC46A1DHFRGARTFOLR2
SCHEMBL15056397 0.79 DHFR (0.68) FOLR1SLC46A1DHFRGARTFOLR2
SCHEMBL9844841 0.78 DHFR (0.56) FOLR1SLC46A1DHFRGARTFOLR2

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-0438261-A2 Condensed heterocyclic glutamic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-07-24 EP claimed
EP-0438261-A2 Condensed heterocyclic glutamic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-07-24 EP disclosed