SCHEMBL8825232

SCHEMBL8825232

Ic1ncccc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.64
MAPK14 Q16539 1/20 0.64
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PPIA P62937 1/20 0.49
ABCB1 P08183 1/20 0.49
HTR1A P08908 2/20 0.49
DRD2 P14416 2/20 0.49
SGMS2 Q8NHU3 2/20 0.48
PDE5A O76074 1/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
LIPE Q05469 1/20 0.47
GRM5 P41594 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL897966 0.82 NPC1 (0.68) LTA4HMAPK14ABCB1HTR1ANPC1
SCHEMBL8526782 0.79 LTA4H (0.66) LTA4HMAPK14MAPTMAPK1TDP1
SCHEMBL30711987 0.78 LTA4H (0.64) LTA4HMAPK14MAPTMAPK1TDP1
SCHEMBL1805748 0.78 LTA4H (0.64) LTA4HMAPK14MAPTMAPK1TDP1
SCHEMBL2645138 0.78 LTA4H (0.64) LTA4HMAPK14MAPTMAPK1TDP1
SCHEMBL105010 0.78 LTA4H (1.00) LTA4HMAPK14MAPTMAPK1TDP1
SCHEMBL31121576 0.78 LTA4H (0.64) LTA4HMAPK14MAPTMAPK1TDP1
SCHEMBL1563544 0.78 LTA4H (0.64) LTA4HMAPK14MAPTMAPK1TDP1
SCHEMBL2339072 0.78 LTA4H (0.64) LTA4HMAPK14MAPTMAPK1TDP1
SCHEMBL27759692 0.78 LTA4H (0.64) LTA4HMAPK14MAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624943-A Pyridine compounds which are useful as leukotriene-B4 -antagonists SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed
EP-0651745-A1 NEW PYRIDINE DERIVATIVES AS LEUKCOTRIENE B 4? ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 1995-05-10 EP disclosed
WO-1994002464-A1 NEW PYRIDINE DERIVATIVES AS LEUKCOTRIENE B4 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 1994-02-03 WO disclosed