SCHEMBL6870549

SCHEMBL6870549

Nc1cc(OC(=O)N(Cc2ccccc2)Cc2ccccc2)cc2nc(-c3nccs3)nn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.36
PDE11A Q9HCR9 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARA Q07869 2/20 0.33
HDAC2 Q92769 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FFAR1 O14842 1/20 0.33
SLC2A1 P11166 1/20 0.33
CYP2C9 P11712 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL6869236 0.88 USP2 (0.38) ADORA2APDE11AALDH1A1LMNAMEN1
SCHEMBL6869933 0.86 ADORA2A (0.41) ADORA2APDE11ALMNAMEN1KMT2A
SCHEMBL6863049 0.85 ADORA2A (0.45) ADORA2APDE11AALDH1A1NPSR1KDM4E
SCHEMBL6873153 0.84 ADORA2A (0.38) ADORA2APDE11AHPGDABL1BCR
SCHEMBL6867998 0.84 ADORA2A (0.52) ADORA2AALDH1A1NPSR1KDM4ELMNA
SCHEMBL6871963 0.83 ADORA2A (0.35) ADORA2APDE11AABL1BCR
SCHEMBL6870657 0.82 ADORA2A (0.50) ADORA2APDE11AALDH1A1NPSR1KDM4E
SCHEMBL6869532 0.81 ADORA2A (0.36) ADORA2APDE11A
SCHEMBL6874251 0.80 ADORA2A (0.43) ADORA2APDE11AHPGD
SCHEMBL6872068 0.80 ADORA2A (0.52) ADORA2APDE11AALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347974-B1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2004-11-03 EP claimed