SCHEMBL18658967

SCHEMBL18658967

N#[N+]NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.62
▸ ACE P12821 3/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ ECE1 P42892 3/20 0.60
▸ KDM4E B2RXH2 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ APAF1 O14727 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ RECQL P46063 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ MPO P05164 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ PMP22 Q01453 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ ITGB2 P05107 3/20 0.59
▸ ICAM1 P05362 3/20 0.59

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
SCHEMBL30782236 0.85 ALOX15 (0.70) ALOX15ACESMN1; SMN2ECE1KDM4E
SCHEMBL2167226 0.83 ALOX15 (0.68) ALOX15ACESMN1; SMN2ECE1KDM4E
SCHEMBL170878 0.83 KDM4E (0.69) ALOX15ACESMN1; SMN2ECE1KDM4E
SCHEMBL170877 0.83 KDM4E (0.69) ALOX15ACESMN1; SMN2ECE1KDM4E
SCHEMBL1755294 0.83 ALOX15 (0.68) ALOX15ACESMN1; SMN2ECE1KDM4E
SCHEMBL23434883 0.83 ALOX15 (0.52) ALOX15ACEECE1KDM4EMAPT
SCHEMBL1332183 0.82 ALOX15 (0.67) ALOX15ACESMN1; SMN2ECE1KDM4E
Abrine (L) SCHEMBL18777 0.82 ALOX15 (0.70) ALOX15ACESMN1; SMN2ECE1KDM4E
SCHEMBL3857229 0.82 ALOX15 (0.74) ALOX15ACEECE1ITGB2ICAM1
SCHEMBL12583690 0.82 ALOX15 (0.67) ALOX15ACESMN1; SMN2ECE1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3350195-B9 THE METHOD OF SYNTHESIS AND PURIFICATION OF A NUCLEOSIDE AND/OR A NUCLEOTIDE, A MODIFIED NUCLEOSIDE AND/OR NUCLEOTIDE, A DNA MOLECULE AND AN OLIGONUCLEOTIDE LIBRARY COMPRISING SAID MODIFIED NUCLEOSIDE AND/OR NUCLEOTIDE AND THE USE OF SAID OLIGONUCLEOTIDE LIBRARY PURE BIOLOGICS SPOLKA AKCYJNA (PL) 2021-09-29 — — EP disclosed
EP-3350195-B1 THE METHOD OF SYNTHESIS AND PURIFICATION OF A NUCLEOSIDE AND/OR A NUCLEOTIDE, A MODIFIED NUCLEOSIDE AND/OR NUCLEOTIDE, A DNA MOLECULE AND AN OLIGONUCLEOTIDE LIBRARY COMPRISING SAID MODIFIED NUCLEOSIDE AND/OR NUCLEOTIDE AND THE USE OF SAID OLIGONUCLEOTIDE LIBRARY PURE BIOLOGICS SPOLKA AKCYJNA (PL) 2021-06-02 — — EP disclosed
WO-2017048147-A1 THE METHOD OF SYNTHESIS AND PURIFICATION OF A NUCLEOSIDE AND/OR A NUCLEOTIDE, A MODIFIED NUCLEOSIDE AND/OR NUCLEOTIDE, A DNA MOLECULE AND AN OLIGONUCLEOTIDE LIBRARY COMPRISING SAID MODIFIED NUCLEOSIDE AND/OR NUCLEOTIDE AND THE USE OF SAID OLIGONUCLEOTIDE LIBRARY PURE BIOLOGICS SP. Z O.O. (PL) 2017-03-23 — — WO disclosed
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