SCHEMBL17874878

SCHEMBL17874878

CC(=O)C(N)Cc1ccc(N=[N+]=[N-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 3/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PTGS1 P23219 2/20 0.40
▸ ALPI P09923 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ XIAP P98170 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.39
▸ SCN1A P35498 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ TPH1 P17752 1/20 0.39
▸ PTGS2 P35354 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ EGFR P00533 1/20 0.38

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
SCHEMBL16728135 1.00 SLC7A5 (0.41) SLC7A5CA1CA2CA5ACA9
SCHEMBL13482800 0.87 SLC7A5 (0.57) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL23217202 0.87 SLC7A5 (0.57) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL14822340 0.87 TPH1 (0.42) SLC7A5CA1CA2CA5ACA9
SCHEMBL23217204 0.87 SLC7A5 (0.57) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL25247632 0.87 SLC7A5 (0.57) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL13603566 0.87 SLC7A5 (0.57) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL31598890 0.86 SLC7A5 (0.56) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL13762390 0.85 ALDH1A1 (0.44) SLC7A5CA1CA2CA5ACA9
SCHEMBL16724758 0.85 SLC7A5 (0.37) SLC7A5CA1CA2CA5ACA9

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
US-9376700-B2 Methods of modifying N-termini of a peptide or protein using transferases THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-06-28 — — US disclosed
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