SCHEMBL14071529

SCHEMBL14071529

CCc1ccc(-c2ccnc(Cl)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
LOX P28300 1/20 0.44
LOXL3 P58215 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MAPKAPK2 P49137 1/20 0.43
IDO1 P14902 1/20 0.41
MAPK14 Q16539 3/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
WNT3A P56704 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL4027001 0.79 IDO1 (0.55) RECQLLOXLOXL3LOXL2MAPKAPK2
SCHEMBL1623690 0.79 DYRK1A (0.58) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL14770762 0.79 IDO1 (0.44) RECQLLOXLOXL3LOXL2MAPKAPK2
SCHEMBL805501 0.78
SCHEMBL3500189 0.78 MAP4K4 (0.49) RECQLLOXLOXL3LOXL2MAPKAPK2
SCHEMBL22241346 0.78 LOXL2 (0.44) LOXL2MAPKAPK2IDO1MAPK14NOS3
SCHEMBL18179504 0.77 MAPK14 (0.44) RECQLLOXLOXL3LOXL2IDO1
SCHEMBL25070215 0.76 ADORA2A (0.54) IDO1CCNCCDK8
SCHEMBL4672168 0.76 LMNA (0.52) RECQLLOXLOXL3LOXL2IDO1
SCHEMBL4903193 0.76 ROCK2 (0.45) RECQLLOXLOXL3LOXL2IDO1

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
EP-1948191-B1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES UNIV MICHIGAN (US) 2013-01-16 EP disclosed
WO-2008116156-A2 METHODS AND COMPOSITIONS FOR TREATING DISEASES AND CONDITIONS ASSOCIATED WITH MITOCHONDRIAL FUNCTION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-09-25 WO disclosed
WO-2007053725-A2 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-10 WO disclosed