SCHEMBL14505201

SCHEMBL14505201

O=C(Nc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1O)c1ccc2cccnc2c1O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 10/20 0.49
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTGS2 P35354 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
KDR P35968 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL14505242 0.91 SMN1; SMN2 (0.51) EGLN1NPC1RAB9AL3MBTL1PTGS2
SCHEMBL14504837 0.89 EGLN1 (0.60) EGLN1RAB9AL3MBTL1PTGS2SMN1; SMN2
SCHEMBL14505193 0.87 SMN1; SMN2 (0.48) NPC1RAB9AL3MBTL1PTGS2SMN1; SMN2
SCHEMBL14503855 0.87 LMNA (0.49) NPC1RAB9APTGS2SMN1; SMN2MAPT
SCHEMBL5376284 0.86 EGLN1 (0.46) EGLN1KDM4EKDR
SCHEMBL5376246 0.86 EGLN1 (0.46) EGLN1KDM4EKDR
SCHEMBL14505036 0.84 PIM1 (0.57) NPC1RAB9AKDM4EL3MBTL1PTGS2
SCHEMBL14503828 0.83 SMN1; SMN2 (0.53) NPC1RAB9AL3MBTL1PTGS2SMN1; SMN2
SCHEMBL14505122 0.83 CA12 (0.48) NPC1RAB9AL3MBTL1PTGS2SMN1; SMN2
SCHEMBL14505237 0.83 PTGS2 (0.49) NPC1RAB9APTGS2SMN1; SMN2LMNA

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