SCHEMBL4623217

SCHEMBL4623217

O=C(O)c1cc(NCc2ccccc2)[nH]n1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.58
KDM4E B2RXH2 3/20 0.55
ASPH Q12797 2/20 0.55
KDM8 Q8N371 2/20 0.55
RIOX2 Q8IUF8 1/20 0.55
HAO1 Q9UJM8 1/20 0.48
KDM5B Q9UGL1 1/20 0.47
KDM6B O15054 1/20 0.47
KDM4A O75164 1/20 0.47
KDM4D Q6B0I6 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
ATM Q13315 1/20 0.44
DAO P14920 1/20 0.43

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
SCHEMBL4648929 0.82 SMN1; SMN2 (0.58) HCAR2KDM4E
SCHEMBL4646927 0.81 KDM4C (0.52) HCAR2KDM4CDAO
SCHEMBL5008206 0.80 HCAR2 (0.54) HCAR2KDM4EKDM6BKDM4DKDM4C
SCHEMBL5599799 0.78 HCAR2 (0.68) HCAR2
SCHEMBL4646434 0.76 HCAR2 (0.38) HCAR2KDM4CDAO
SCHEMBL13827586 0.75 RECQL (0.49) HCAR2KDM4E
SCHEMBL5008289 0.74 CCNA2 (0.51) HCAR2KDM4DKDM4C
SCHEMBL12703568 0.73 HCAR2 (1.00) HCAR2
SCHEMBL1149172 0.72 HCAR2 (0.73) HCAR2
SCHEMBL6761973 0.70 KDM4E (0.57) HCAR2KDM4EASPHKDM8RIOX2

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-1899304-A1 5-AMINO-1H-PYRAZOLE-3-CARBOXYLIC ACID DERIVATIVES AS AGONISTS FOR THE G-PROTEIN COUPLED RECEPTOR (GPCR) RUP38 FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF Arena Pharmaceuticals, Inc. (US) 2008-03-19 EP claimed
WO-2006127595-A1 5-AMINOPYRAZOLE CARBOXYLIC ACID DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2006-11-30 WO claimed