SCHEMBL14503591

SCHEMBL14503591

O=C(Nc1ccc(Nc2nc(NC3CCCNC3)nc(N3CCCCC3)n2)cc1O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PTGS2 P35354 1/20 0.42
▸ JAK1 P23458 2/20 0.42
▸ IDH2 P48735 1/20 0.42
▸ ROCK1 Q13464 1/20 0.41
▸ GBA1 P04062 1/20 0.40
▸ FLT3 P36888 2/20 0.39
▸ RORC P51449 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
SCHEMBL14503585 0.91 CA12 (0.46) CA12CA1CA2CA9MEN1
SCHEMBL5391264 0.90 JAK1 (0.40) JAK1IDH2ROCK1FLT3
SCHEMBL14503584 0.86 ALDH1A1 (0.51) CA12CA1CA2CA9MEN1
SCHEMBL14503227 0.86 PTGS2 (0.56) CA12CA1CA2CA9MEN1
SCHEMBL14503143 0.86 PTGS2 (0.56) CA12CA1CA2CA9MEN1
SCHEMBL14503583 0.83 MAPT (0.45) CA12CA1CA2CA9MEN1
SCHEMBL14503582 0.83 PTGS2 (0.51) CA12CA1CA2CA9MEN1
SCHEMBL14503666 0.82 CA12 (0.49) CA12CA1CA2CA9MEN1
SCHEMBL5385033 0.82 FLT3 (0.41) MAPK1IDH2FLT3
SCHEMBL14503697 0.81 CA12 (0.49) CA12CA1CA2CA9MEN1

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
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 — — US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 — — US disclosed
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