SCHEMBL5820733

SCHEMBL5820733

O=C(Nc1cccnc1)c1cccc2[nH]cnc12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.58
RXFP1 Q9HBX9 1/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP11B2 P19099 2/20 0.54
PARP1 P09874 1/20 0.52
EGLN1 Q9GZT9 1/20 0.51
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.51
LMNA P02545 2/20 0.50
CYP11B1 P15538 1/20 0.50
HIF1A Q16665 1/20 0.50
SGMS2 Q8NHU3 3/20 0.49
HSD17B10 Q99714 2/20 0.49
IDO1 P14902 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL5820736 0.80 NAMPT (0.58) NAMPTALDH1A1KDM4EMEN1HPGD
SCHEMBL27810270 0.79 EGLN1 (0.74) NAMPTALDH1A1KDM4EMEN1HPGD
SCHEMBL29862956 0.79 EGLN1 (0.74) NAMPTALDH1A1KDM4EMEN1HPGD
SCHEMBL4246266 0.78 PKN1 (0.53) NAMPTALDH1A1KDM4EMEN1HPGD
SCHEMBL4246271 0.78 ALDH1A1 (0.53) NAMPTALDH1A1KDM4EMEN1HPGD
SCHEMBL5480367 0.76 PARP1 (0.66) RXFP1PARP1
SCHEMBL27810327 0.75 EGLN1 (0.58) NAMPTALDH1A1KDM4EMEN1HPGD
SCHEMBL1477698 0.75 PARP1 (0.69) RXFP1PARP1
SCHEMBL29698487 0.75 PARP1 (0.64) RXFP1PARP1
SCHEMBL4241048 0.74 HTR2C (0.70) NAMPTALDH1A1KDM4EMEN1HPGD

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
WO-2006130673-A1 3-BENZOIMIDAZOLYL-PYRAZOLOPYRIDINES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-07 WO claimed