SCHEMBL9853745

SCHEMBL9853745

Nc1nc2ncc(CNc3ccc(C(=O)N(N)[C@@H](CCC(=O)O)C(=O)O)cc3)nc2c(=O)[nH]1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 2/20 0.71
▸ KDM4E B2RXH2 1/20 0.71
▸ MEN1 O00255 1/20 0.71
▸ ALDH1A1 P00352 1/20 0.71
▸ POLB P06746 1/20 0.71
▸ GAA P10253 1/20 0.71
▸ AKR1B1 P15121 1/20 0.71
▸ HPGD P15428 1/20 0.71
▸ TSHR P16473 1/20 0.71
▸ PTGS2 P35354 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ HSD17B10 Q99714 1/20 0.71
▸ TDP1 Q9NUW8 1/20 0.71
▸ ADORA3 P0DMS8 1/20 0.51
▸ DHFR P00374 8/20 0.49
▸ GART P22102 2/20 0.49
▸ ATIC P31939 1/20 0.49
▸ NOS1 P29475 3/20 0.43
▸ SLC19A1 P41440 2/20 0.43

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
SCHEMBL440460 0.91 TYMS (0.70) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL30293737 0.91 TYMS (0.70) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL2577686 0.91 TYMS (0.70) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL9564298 0.91 TYMS (0.61) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL6389507 0.90 TYMS (0.69) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL30887631 0.90 TYMS (0.68) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL8375155 0.90 TYMS (0.68) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL7758365 0.90 TYMS (0.68) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL17732194 0.89 TYMS (0.67) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL8003250 0.87 TYMS (0.65) TYMSKDM4EMEN1ALDH1A1POLB

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
EP-0427078-A1 Folinic acid-cyclodextrin inclusion compound MAGIS FARMACEUTICI S.p.A. (IT) 1991-05-15 — — EP disclosed
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