SCHEMBL10479211

SCHEMBL10479211

Nc1nc(O)c2cc(/C=C(/CO)c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 11/20 0.51
GART P22102 3/20 0.50
TYMS P04818 3/20 0.49
ATIC P31939 3/20 0.49
KDM4E B2RXH2 1/20 0.49
TLR4 O00206 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
GLA P06280 1/20 0.49
POLB P06746 1/20 0.49
HMGB1 P09429 1/20 0.49
MAPT P10636 1/20 0.49
FOLR2 P14207 1/20 0.49
FOLR1 P15328 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
APEX1 P27695 1/20 0.49

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
SCHEMBL10479212 1.00 DHFR (0.51) DHFRGARTTYMSATICKDM4E
SCHEMBL9537239 0.88 DHFR (0.54) DHFRGARTTYMSATICKDM4E
SCHEMBL9537245 0.88 DHFR (0.54) DHFRGARTTYMSATICKDM4E
SCHEMBL9054755 0.84 DHFR (0.55) DHFRGARTTYMSATIC
SCHEMBL9054749 0.83 DHFR (0.52) DHFRGARTFOLR1SLC19A1SLC46A1
SCHEMBL9535831 0.82 GART (0.72) DHFRGARTTYMSATIC
SCHEMBL9381841 0.81 DHFR (0.56) DHFRGARTTYMSATICKDM4E
SCHEMBL9381831 0.81 DHFR (0.56) DHFRGARTTYMSATICKDM4E
SCHEMBL9208538 0.81 GART (0.60) DHFRGARTTYMSATICKDM4E
SCHEMBL9208525 0.81 GART (0.60) DHFRGARTTYMSATICKDM4E

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
US-4883799-A N-(4-(1-hydroxy-3-(5,6,7,8-tetrahydropyrido(2,3,-d)-pyrimidin-6-yl)prop-2-yl)benzoyl)glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-11-28 US disclosed