SCHEMBL19445708

SCHEMBL19445708

CN[C@@H](CCCCN)C(=O)Nc1ccc(O)c(C(N)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.39
▸ PDF Q9HBH1 1/20 0.39
▸ KDM4C Q9H3R0 2/20 0.38
▸ TERT O14746 3/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ PLG P00747 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SPHK1 Q9NYA1 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LTA4H P09960 1/20 0.35
▸ HPGDS O60760 1/20 0.35

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
SCHEMBL19445586 0.86 TERT (0.41) KDM4CTERTMEN1KMT2A
SCHEMBL19445622 0.82 ERAP2 (0.43) TERTLTA4HHPGDS
SCHEMBL19445494 0.80 KDM4C (0.35) KDM4CCA1CA2MAPTMEN1
SCHEMBL19445846 0.76 ERAP2 (0.44) LTA4HHPGDS
SCHEMBL17424310 0.76 SPHK1 (0.51) KLKB1PDFCA1CA2PLG
SCHEMBL10262149 0.76 ERAP2 (0.43) KLKB1TERTLTA4H
SCHEMBL15782431 0.74 LMNA (0.42) KLKB1PDFMEN1KMT2ALMNA
SCHEMBL8365170 0.74 RAB9A (0.49) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL19445703 0.74 ERAP2 (0.38) TERTSMN1; SMN2LTA4H
SCHEMBL19445716 0.74 LMNA (0.52) KLKB1PDFCA1CA2MAPT

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
EP-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 — — EP disclosed
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