SCHEMBL14503546

SCHEMBL14503546

COc1cccc(OC)c1C(=O)Nc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
GFER P55789 1/20 0.54
GAA P10253 2/20 0.53
KMT2A Q03164 5/20 0.52
PTGS2 P35354 3/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 3/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 4/20 0.47
GBA1 P04062 2/20 0.47
BACE1 P56817 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL14505245 0.96 MAPT (0.50) MAPTGFERGAAKMT2APTGS2
SCHEMBL14504770 0.90 PTGS2 (0.47) MAPTGFERKMT2APTGS2LMNA
SCHEMBL14503543 0.90 MAPT (0.55) MAPTGFERKMT2APTGS2LMNA
SCHEMBL14505221 0.88 PNLIP (0.49) MAPTGFERGAAKMT2APTGS2
SCHEMBL14503231 0.86 CA12 (0.50) MAPTKMT2APTGS2LMNASMN1; SMN2
SCHEMBL5383965 0.85 MAPT (0.43) MAPTGFERGAAKMT2ANPSR1
SCHEMBL14505239 0.85 MAPT (0.60) MAPTGFERGAAKMT2APTGS2
SCHEMBL14503524 0.84 PTGS2 (0.54) MAPTGAAKMT2APTGS2LMNA
SCHEMBL14504600 0.84 PTGS2 (0.51) MAPTGAAKMT2APTGS2LMNA
SCHEMBL14504681 0.83 MAPT (0.54) MAPTKMT2APTGS2LMNASMN1; SMN2

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