SCHEMBL27528678

SCHEMBL27528678

O=C(O)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)O.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.49
▸ CA1 P00915 1/20 0.49
▸ FOLR1 P15328 5/20 0.46
▸ GART P22102 3/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ HTT P42858 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ GRM8 O00222 1/20 0.44
▸ GRM6 O15303 1/20 0.44
▸ GRM4 Q14833 1/20 0.44
▸ TYMS P04818 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ FOLR2 P14207 2/20 0.43
▸ ATIC P31939 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
SCHEMBL27518088 0.99 CA2 (0.50) CA2CA1FOLR1GARTSMN1; SMN2
SCHEMBL27518081 0.99 CA2 (0.50) CA2CA1FOLR1GARTSMN1; SMN2
SCHEMBL27559568 0.80 CA2 (0.53) CA2CA1FOLR1GARTFOLR2
SCHEMBL9600688 0.79 CA2 (0.52) CA2CA1FOLR1GARTTYMS
SCHEMBL9600674 0.79 CA2 (0.52) CA2CA1FOLR1GARTTYMS
SCHEMBL9515617 0.78 KDM4E (0.46) CA2CA1GARTHTTMEN1
SCHEMBL9515630 0.78 KDM4E (0.46) CA2CA1GARTHTTMEN1
SCHEMBL27540259 0.76 SMN1; SMN2 (0.51) SMN1; SMN2HTTLMNAMEN1KMT2A
SCHEMBL28630336 0.75 L3MBTL1 (0.49) SMN1; SMN2HTTLMNAMEN1KMT2A
SCHEMBL28300055 0.75 L3MBTL1 (0.49) SMN1; SMN2HTTLMNAMEN1KMT2A

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
CN-1247529-C Process for preparing N-aroyl-L-glutaminic acid UNIV EAST CHINA SCI & ENG (CN) 2006-03-29 — — CN disclosed
CN-1458143-A Process for preparing N-aroyl-L-glutaminic acid UNIV EAST CHINA SCI & ENG (CN) 2003-11-26 — — CN disclosed
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