SCHEMBL16583122

SCHEMBL16583122

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 11/20 0.57
TYMS P04818 4/20 0.57
ATIC P31939 3/20 0.57
GART P22102 3/20 0.57
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 2/20 0.57
POLB P06746 2/20 0.57
HPGD P15428 2/20 0.57
KMT2A Q03164 2/20 0.57
HSD17B10 Q99714 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
GAA P10253 1/20 0.57
AKR1B1 P15121 1/20 0.57
TSHR P16473 1/20 0.57
PTGS2 P35354 1/20 0.57
TLR4 O00206 1/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
GLA P06280 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
SCHEMBL28344641 0.95 DHFR (0.57) DHFRTYMSATICGARTKDM4E
SCHEMBL28885296 0.94 DHFR (0.56) DHFRTYMSATICGARTKDM4E
SCHEMBL29190442 0.93 DHFR (0.57) DHFRTYMSATICGARTKDM4E
SCHEMBL28151272 0.93 DHFR (0.55) DHFRTYMSATICGARTKDM4E
SCHEMBL338037 0.92 DHFR (0.57) DHFRTYMSATICGARTKDM4E
SCHEMBL9771346 0.92 DHFR (0.54) DHFRTYMSATICGARTKDM4E
SCHEMBL28379436 0.92 DHFR (0.54) DHFRTYMSATICGARTKDM4E
SCHEMBL2029113 0.92 DHFR (0.54) DHFRTYMSATICGARTKDM4E
SCHEMBL25167471 0.91 DHFR (0.57) DHFRTYMSATICGARTKDM4E
SCHEMBL869876 0.91 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107998404-B Folic acid targeting vector loaded with anticancer drug and preparation method and application thereof 浙江大学 2021-05-04 CN disclosed
CN-108273068-A Load the folate-targeted carrier and its preparation method and application of Epigallo-catechin gallate (EGCG) 浙江大学 2018-07-13 CN disclosed
CN-108144068-A Load folate-targeted carrier of monosubstituted Epigallo-catechin gallate (EGCG) palmitate and its preparation method and application 浙江大学 2018-06-12 CN disclosed
CN-107998404-A A kind of folate-targeted carrier for loading cancer therapy drug and its preparation method and application 浙江大学 2018-05-08 CN disclosed
US-20150086976-A1 SELF-CATALYTIC REACTION BASED ASSAY UTAH STATE UNIVERSITY (US) 2015-03-26 US disclosed