SCHEMBL1665485

SCHEMBL1665485

O=C(Nc1ccncc1)OCc1ccncc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.84
NAMPT P43490 2/20 0.69
BCHE P06276 1/20 0.58
MDM2 Q00987 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
ROCK2 O75116 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MGLL Q99685 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
KEAP1 Q14145 1/20 0.48

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
SCHEMBL1334862 0.92 POLB (0.88) POLBNAMPTSMN1; SMN2LMNARAB9A
SCHEMBL13679756 0.92 POLB (1.00) POLBNAMPTBCHESMN1; SMN2LMNA
SCHEMBL31044012 0.90 POLB (0.70) POLBNAMPTSMN1; SMN2LMNARAB9A
SCHEMBL8202632 0.89 NAMPT (0.73) POLBNAMPTBCHESMN1; SMN2LMNA
SCHEMBL2056382 0.88 NAMPT (0.76) POLBNAMPTBCHESMN1; SMN2RAB9A
SCHEMBL13611978 0.85 NAMPT (0.64) POLBNAMPTBCHESMN1; SMN2LMNA
SCHEMBL2054657 0.85 MEN1 (0.71) POLBNAMPTSMN1; SMN2LMNAMEN1
SCHEMBL31043979 0.85 POLB (0.63) POLBNAMPTSMN1; SMN2LMNARAB9A
SCHEMBL1665313 0.84 POLB (0.67) POLBNAMPTLMNARAB9ANPC1
SCHEMBL31043775 0.84 POLB (0.62) POLBNAMPTSMN1; SMN2LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313094-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS AstraZeneca AB (SE) 2011-04-27 EP claimed
WO-2009147216-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO claimed
EP-2313094-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS AstraZeneca AB (SE) 2011-04-27 EP disclosed
WO-2009147216-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO disclosed