SCHEMBL6867467

SCHEMBL6867467

Nc1cc(C(=O)NCc2ccc(Cl)cc2)cc2nc(-c3nccs3)nn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46
EGLN2 Q96KS0 1/20 0.42
HPGD P15428 2/20 0.41
CYP1A1 P04798 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 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
SCHEMBL6873737 0.91 L3MBTL1 (0.43) KDM4EHPGDALDH1A1TSHRLMNA
SCHEMBL6869924 0.88 CHRM4 (0.47) KDM4EPOLBHPGDALDH1A1GAA
SCHEMBL6870516 0.85 KDM4E (0.46) KDM4EALDH1A1GAALMNAKMT2A
SCHEMBL6871432 0.83 ADORA2A (0.40) HPGDALDH1A1LMNAKMT2AMEN1
SCHEMBL6870625 0.82 MAPK10 (0.45) KDM4EALDH1A1MAPTGAALMNA
SCHEMBL6867623 0.81 F2 (0.43) KDM4EHPGDALDH1A1GAALMNA
SCHEMBL6872431 0.80 HDAC3 (0.40) KDM4EEGLN2HPGDALDH1A1MAPT
SCHEMBL6863441 0.79 HPGD (0.45) KDM4EPOLBHPGDALDH1A1TSHR
SCHEMBL6872923 0.79 ADORA2A (0.46) EGLN2ALDH1A1TSHRMAPTGAA
SCHEMBL6872215 0.78 EGLN2 (0.42) KDM4EEGLN2ALDH1A1TSHRMAPT

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 disclosed