SCHEMBL20528882

SCHEMBL20528882

[N-]=[N+]=NCC(=O)NCCCC(N)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OTC P00480 1/20 0.57
▸ DDAH1 O94760 4/20 0.47
▸ NOS2 P35228 6/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ NOS1 P29475 6/20 0.41
▸ NOS3 P29474 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NOD1 Q9Y239 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GSR P00390 1/20 0.40
▸ BLM P54132 1/20 0.39

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
SCHEMBL22691090 0.95 OTC (0.52) OTCDDAH1NOS2CYP2C19CYP1A2
SCHEMBL13445977 0.95 OTC (0.52) OTCDDAH1NOS2CYP2C19CYP1A2
SCHEMBL13464207 0.95 OTC (0.52) OTCDDAH1NOS2CYP2C19CYP1A2
SCHEMBL29286204 0.91 OTC (0.45) OTCDDAH1NOS2CYP2C19CYP1A2
SCHEMBL29286205 0.91 OTC (0.45) OTCDDAH1NOS2CYP2C19CYP1A2
SCHEMBL21611916 0.90 OTC (0.48) OTCDDAH1NOS2CYP2C19CYP1A2
SCHEMBL21611915 0.90 OTC (0.48) OTCDDAH1NOS2CYP2C19CYP1A2
SCHEMBL15618245 0.82 OTC (0.51) OTCDDAH1NOS2CYP2C19CYP1A2
SCHEMBL15483719 0.81 OTC (0.50) OTCDDAH1NOS2CYP2C19CYP1A2
SCHEMBL17430453 0.80 CA2 (0.39) OTCDDAH1CA2CA9MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287383-A1 PYRROLYSYL-tRNA SYNTHETASE VARIANTS AND USES THEREOF ENGENES BIOTECH GMBH (AT) 2023-09-14 — — US claimed
EP-4176050-A1 PYRROLYSYL-TRNA SYNTHETASE VARIANTS AND USES THEREOF enGenes Biotech GmbH (AT) 2023-05-10 — — EP claimed
WO-2022003142-A1 PYRROLYSYL-tRNA SYNTHETASE VARIANTS AND USES THEREOF ENGENES BIOTECH GMBH (AT) 2022-01-06 — — WO claimed
WO-2018185222-A1 AMINOACYL TRNA SYNTHETASES AND ORTHOGONAL TRNAS ACIB GMBH - AUSTRIAN CENTRE OF INDUSTRIAL BIOTECHNOLOGY (AT) 2018-10-11 — — WO claimed
US-20230287383-A1 PYRROLYSYL-tRNA SYNTHETASE VARIANTS AND USES THEREOF ENGENES BIOTECH GMBH (AT) 2023-09-14 — — US disclosed
EP-4176050-A1 PYRROLYSYL-TRNA SYNTHETASE VARIANTS AND USES THEREOF enGenes Biotech GmbH (AT) 2023-05-10 — — EP disclosed
WO-2022003142-A1 PYRROLYSYL-tRNA SYNTHETASE VARIANTS AND USES THEREOF ENGENES BIOTECH GMBH (AT) 2022-01-06 — — WO disclosed
WO-2018185222-A1 AMINOACYL TRNA SYNTHETASES AND ORTHOGONAL TRNAS ACIB GMBH - AUSTRIAN CENTRE OF INDUSTRIAL BIOTECHNOLOGY (AT) 2018-10-11 — — WO disclosed
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