SCHEMBL1665313

SCHEMBL1665313

O=C(Nc1cccnc1)OCc1ccncc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.67
NAMPT P43490 3/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
CHRNA7 P36544 1/20 0.53
SGMS2 Q8NHU3 1/20 0.51
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
LRRK2 Q5S007 1/20 0.49
MGLL Q99685 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49

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
SCHEMBL968903 0.91 POLB (0.71) POLBNAMPTMEN1KMT2ALMNA
SCHEMBL1334862 0.86 POLB (0.88) POLBNAMPTLMNAMAPTHTT
SCHEMBL1665485 0.84 POLB (0.84) POLBNAMPTMEN1KMT2ALMNA
SCHEMBL11563747 0.82 NAMPT (0.77) POLBNAMPTMEN1KMT2ALMNA
SCHEMBL22978789 0.81 RAB9A (0.56) NAMPTMEN1KMT2ALMNAALDH1A1
SCHEMBL13679756 0.80 POLB (1.00) POLBNAMPTLMNAALDH1A1MAPT
SCHEMBL966665 0.80 NPC1 (0.59) POLBNAMPTLMNAALDH1A1MAPT
SCHEMBL30058651 0.80 NPC1 (0.59) POLBNAMPTLMNAALDH1A1MAPT
SCHEMBL27129536 0.80 RAB9A (0.54) NAMPTMEN1KMT2ALMNAALDH1A1
SCHEMBL31044012 0.79 POLB (0.70) POLBNAMPTMEN1KMT2ALMNA

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