SCHEMBL8345840

SCHEMBL8345840

Cc1cccnc1NCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.50
FDPS P14324 3/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 5/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TSHR P16473 1/20 0.46
HPGD P15428 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 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
SCHEMBL10652657 0.89 SYK (0.50) L3MBTL1FDPSMAPTKDM4ERAB9A
SCHEMBL6442879 0.83 KDM4E (0.57) L3MBTL1FDPSMAPTKDM4ERAB9A
SCHEMBL7080994 0.81 FDPS (0.54) L3MBTL1FDPSMAPTKDM4ERAB9A
SCHEMBL11176979 0.81 FDPS (0.50) L3MBTL1FDPSMAPTKDM4ERAB9A
SCHEMBL6439936 0.80 TLR8 (0.52) L3MBTL1FDPSMAPTKDM4ERAB9A
SCHEMBL7360763 0.79 PRKCH (0.48) MAPTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1744805 0.79 ALDH1A1 (0.42) MAPTKDM4EALDH1A1HSD17B10TSHR
SCHEMBL4036232 0.79 FDPS (0.54) L3MBTL1FDPSMAPTKDM4ERAB9A
SCHEMBL13931357 0.78 SYK (0.46) MAPTKDM4ERAB9ANPC1ALDH1A1
SCHEMBL317634 0.78 PRKCH (0.43) MAPTKDM4ERAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368040-A Diaryl monocyclic β -lactam compounds and methods of use thereof for treating bacterial infections 默沙东公司 2018-08-03 CN disclosed
WO-2004014307-A2 GAL3 ANTAGONISTS FOR THE TREATMENT OF NEUROPATHIC PAIN SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-02-19 WO disclosed
US-4608383-A Cardioactive pyrazole and imidazole aryloxypropanolamines BOEHRINGER MANNHEIM GMBH (DE) 1986-08-26 US disclosed
EP-0042593-B1 ARYLOXY-PROPANOL AMINES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1985-04-03 EP disclosed
US-4438128-A ADRENERGIC BLOCKERS BOEHRINGER MANNHEIM GMBH (DE) 1984-03-20 US disclosed
EP-0042593-A1 Aryloxy-propanol amines, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1981-12-30 EP disclosed