SCHEMBL1855232

SCHEMBL1855232

NC(=O)ON1CCN(c2nc(-c3ccc(N4CCOCC4)cc3)cc3ncccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.52
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
AHR P35869 1/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
HCRTR1 O43613 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ALOX15 P16050 1/20 0.41
METAP1 P53582 1/20 0.41
PIK3C2A O00443 1/20 0.41
PIK3C2B O00750 1/20 0.41
PIK3R1 P27986 1/20 0.41

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
SCHEMBL2295063 0.88 SYK (0.55) SYKKDM4EALDH1A1MAPTMAPK1
SCHEMBL1855309 0.83 SYK (0.51) SYKKDM4EALDH1A1MAPTMAPK1
SCHEMBL2297975 0.81 SYK (0.60) SYKPRKDC
SCHEMBL1858428 0.80 SYK (0.56) SYKKDM4EALDH1A1MAPTMAPK1
SCHEMBL2588826 0.80 PIK3CD (0.57) SYKKDM4EALDH1A1MAPTMAPK1
SCHEMBL1856091 0.79 SYK (0.52) SYKKDM4EALDH1A1MAPTMAPK1
SCHEMBL1856094 0.78 SYK (0.49) SYKKDM4EALDH1A1MAPTMAPK1
SCHEMBL14900561 0.78 SYK (0.53) SYKKDM4EALDH1A1MAPTMAPK1
SCHEMBL1855610 0.77 SYK (0.61) SYKKDM4EALDH1A1MAPTMAPK1
SCHEMBL12424574 0.76 SYK (0.61) SYKKDM4EALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2324022-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP disclosed
WO-2010015520-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-11 WO disclosed