SCHEMBL4755334

SCHEMBL4755334

Cc1nc(C)c(C#N)c(-c2ccc(Cl)c(Cl)c2)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.48
KMO O15229 2/20 0.45
ADORA2A P29274 3/20 0.44
ADORA1 P30542 1/20 0.44
IDO1 P14902 1/20 0.44
ALOX15 P16050 2/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
PPARG P37231 1/20 0.43
STAT3 P40763 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
IKBKB O14920 1/20 0.43
AHR P35869 1/20 0.42
MAP3K14 Q99558 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL6137213 0.80 ALDH1A1 (0.54) KDM4EALDH1A1HPGDNPSR1RXFP1
SCHEMBL6462293 0.75 ADORA1 (0.65) MAPK14ADORA2AADORA1ALOX15KDM4E
SCHEMBL1411744 0.74 CNR2 (0.43) KDM4EALDH1A1HPGDPPARGSTAT3
SCHEMBL4989577 0.74 ALDH1A1 (0.43) ADORA2AADORA1ALOX15KDM4EALDH1A1
SCHEMBL4905882 0.73 KMT2A (0.49) MAPK14KMOADORA2AADORA1ALOX15
SCHEMBL15298191 0.72 ADORA2A (0.49) MAPK14ADORA2AADORA1ALOX15KDM4E
SCHEMBL4908047 0.71 KMO (0.42) MAPK14KMOADORA2AADORA1ALOX15
SCHEMBL27866404 0.71 TRPA1 (0.53) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL2036918 0.71 JAK2 (0.43) ADORA2AKDM4EMAPK1
SCHEMBL15298259 0.70 KDM4E (0.58) MAPK14ADORA2AADORA1KDM4EALDH1A1

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
WO-2008006070-A2 COMPOUNDS AND COMBINATIONS THEREOF FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF USE THEREOF ROSKAMP RESEARCH LLC (US) 2008-01-10 WO disclosed
EP-1858325-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS Roskamp Research LLC (US) 2007-11-28 EP disclosed
WO-2006074419-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS ROSKAMP RESEARCH LLC (US) 2006-07-13 WO disclosed