SCHEMBL28046138

SCHEMBL28046138

Nc1nc(=O)c2nc(CN(C=O)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1.[NaH].[NaH]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 10/20 0.60
TYMS P04818 4/20 0.59
ATIC P31939 3/20 0.59
GART P22102 5/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 2/20 0.54
POLB P06746 2/20 0.54
HPGD P15428 2/20 0.54
KMT2A Q03164 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
GAA P10253 1/20 0.54
AKR1B1 P15121 1/20 0.54
TSHR P16473 1/20 0.54
PTGS2 P35354 1/20 0.54
TLR4 O00206 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
GLA P06280 1/20 0.54

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
SCHEMBL28046139 1.00 DHFR (0.60) DHFRTYMSATICGARTKDM4E
SCHEMBL1547432 0.99 DHFR (0.60) DHFRTYMSATICGARTKDM4E
SCHEMBL27942890 0.92 DHFR (0.54) DHFRTYMSATICGARTKDM4E
SCHEMBL28105446 0.92 DHFR (0.54) DHFRTYMSATICGARTKDM4E
SCHEMBL25167471 0.90 DHFR (0.57) DHFRTYMSATICGARTKDM4E
SCHEMBL2446182 0.90 DHFR (0.52) DHFRTYMSATICGARTKDM4E
SCHEMBL27560842 0.89 DHFR (0.56) DHFRTYMSATICGARTKDM4E
SCHEMBL338037 0.89 DHFR (0.57) DHFRTYMSATICGARTKDM4E
SCHEMBL22638905 0.89 DHFR (0.55) DHFRTYMSATICGARTKDM4E
SCHEMBL20486467 0.88 DHFR (0.57) DHFRTYMSATICGARTKDM4E

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
CN-105181829-A Rapid high-sensitivity synchronous quantitative determination method for leaf total folic acid and folic acid derivatives UNIV ZHEJIANG 2015-12-23 CN disclosed