SCHEMBL9794867

SCHEMBL9794867

Nc1nc(N)c(CCCOc2ccc(C(=O)O)cc2)c(=O)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GART P22102 11/20 0.66
ATIC P31939 1/20 0.48
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
DHFR P00374 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
SCHEMBL9794864 0.86 GART (0.59) GARTATICALDH1A1KMT2ADHFR
SCHEMBL9038667 0.84 GART (0.64) GARTATIC
SCHEMBL9794840 0.82 GART (0.66) GARTATICMAPT
SCHEMBL9794911 0.80 GART (1.00) GARTATIC
SCHEMBL9688625 0.80 GART (0.55) GARTATIC
SCHEMBL9794843 0.75 GART (0.73) GARTATICDHFR
SCHEMBL7257720 0.74 GART (0.49) GARTATIC
SCHEMBL5499213 0.74 GART (0.78) GARTATIC
SCHEMBL9215453 0.72 GART (0.52) GARTATICALDH1A1MAPTKMT2A
SCHEMBL9794872 0.71 GART (0.58) GARTATICALDH1A1MAPTKMT2A

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-0409382-A1 Glutamic acid derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1991-01-23 EP disclosed
US-4971973-A Antitumor agents from polyglutamic acid modified with n- 4- 3-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl!propoxyl!benzoyl -glutamic acid BURROUGHS WELLCOME CO. (US) 1990-11-20 US disclosed