SCHEMBL9519796

SCHEMBL9519796

COCOCc1ccnc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
RXRA P19793 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
PLK1 P53350 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PARP1 P09874 1/20 0.33
MAOA P21397 1/20 0.33
DYRK1A Q13627 1/20 0.33
ADAM17 P78536 1/20 0.32
AR P10275 1/20 0.32
PDE1B Q01064 1/20 0.31
MAOB P27338 1/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31

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
SCHEMBL20073811 0.85 LOX (0.43) LOXLOXL2RXRAGRIN1GRIN2B
SCHEMBL4018107 0.83 LOXL2 (0.59) LOXLOXL2MAOADYRK1APDE1B
SCHEMBL4024225 0.79 LOX (0.50) LOXLOXL2MAOADYRK1AADAM17
SCHEMBL29183339 0.79 AR (0.44) LOXLOXL2ARMAOB
SCHEMBL4020008 0.77 LOXL2 (0.44) LOXLOXL2MAOADYRK1ANOS3
SCHEMBL4019820 0.74 LOXL2 (0.41) LOXLOXL2HCRTR1HCRTR2MAOA
SCHEMBL4017623 0.73 GABRA5 (0.42) LOXLOXL2MAOB
SCHEMBL30753303 0.73 NOS3 (0.40) LOXLOXL2ARMAOBNOS3
SCHEMBL31451327 0.72 NOS3 (0.33) MAOBNOS3NOS1NOS2
SCHEMBL511200 0.71 IDO1 (0.56) MAOAMAOB

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-0282077-B1 Pyridyloxy derivatives FUJIREBIO KK (JP) 1993-11-10 EP disclosed
US-4977267-A ANTISECRETORY AGENT FUJIREBIO KABUSHIKI KAISHA (JP) 1990-12-11 US disclosed
US-4912101-A Containing a secondary amide, suflur group and a furan ring FUJIREBIO KABUSHIKI KAISHA (JP) 1990-03-27 US disclosed
EP-0282077-A2 Pyridyloxy derivatives FUJIREBIO KABUSHIKI KAISHA (JP) 1988-09-14 EP disclosed