SCHEMBL9196894

SCHEMBL9196894

CCOCc1nc2nccnc2c(=O)[nH]1.O=c1[nH]cnc2nccnc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 13/20 0.38
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 2/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.35
XDH P47989 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
CDC7 O00311 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
ROCK1 Q13464 1/20 0.34
DBF4 Q9UBU7 1/20 0.34

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
SCHEMBL9192087 0.91 HCAR2 (0.42) HCAR2HPGDKDM4EGAAHSD17B10
SCHEMBL6440045 0.91 HCAR2 (0.43) HCAR2GAARAB9AALDH1A1HTT
SCHEMBL9194269 0.89 HCAR2 (0.33) HCAR2HPGDKDM4EGAAHSD17B10
SCHEMBL9191397 0.87 ALDH1A1 (0.39) HCAR2HPGDKDM4EGAAHSD17B10
SCHEMBL9191469 0.81 HCAR2 (0.47) HCAR2HPGDKDM4ERAB9AALDH1A1
SCHEMBL9194911 0.81 RAB9A (0.51) HCAR2HPGDKDM4EGAAHSD17B10
SCHEMBL9194026 0.78 HCAR2 (0.44) HCAR2GAARAB9AALDH1A1CCNE1
SCHEMBL9190029 0.77 ALDH1A1 (0.43) HCAR2ALDH1A1CCNE1CDK2
SCHEMBL3817859 0.75 TNKS2 (0.44) HCAR2HPGDALDH1A1
SCHEMBL1900052 0.74 ALDH1A1 (0.54) HPGDKDM4EGAAHSD17B10RAB9A

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-0399856-B1 Pteridin-4 (3H)-ones, processes for their preparation and medicaments containing them LIPHA (FR) 1995-08-09 EP claimed