SCHEMBL9287657

SCHEMBL9287657

CCc1ccccc1OCc1nc2nccnc2c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.47
NISCH Q9Y2I1 1/20 0.45
PDE9A O76083 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 3/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
ROCK2 O75116 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9195100 0.80 RAB9A (0.59) HCAR2RAB9ANPC1TP53SMN1; SMN2
SCHEMBL9195173 0.80 HCAR2 (0.45) HCAR2HTTRAB9AMAPTNPC1
SCHEMBL3817859 0.78 TNKS2 (0.44) HCAR2ALDH1A1TP53SMN1; SMN2L3MBTL1
SCHEMBL6440045 0.77 HCAR2 (0.43) HCAR2ALDH1A1HTTRAB9ANPC1
SCHEMBL9190029 0.77 ALDH1A1 (0.43) HCAR2PDE1APDE1BPDE1CALDH1A1
SCHEMBL9191469 0.76 HCAR2 (0.47) HCAR2PDE9APDE1APDE1BPDE1C
SCHEMBL9195013 0.76 HCAR2 (0.37) HCAR2PDE9APDE1APDE1BPDE1C
SCHEMBL9189988 0.75 HCAR2 (0.56) HCAR2RAB9A
SCHEMBL9196970 0.75 RAB9A (0.49) HCAR2ALDH1A1HTTRAB9ANPC1
SCHEMBL9191276 0.75 HCAR2 (0.51) HCAR2ALDH1A1HTTRAB9ANPC1

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-0399856-B1 Pteridin-4 (3H)-ones, processes for their preparation and medicaments containing them LIPHA (FR) 1995-08-09 EP disclosed
EP-0399856-A1 Pteridin-4 (3H)-ones, processes for their preparation and medicaments containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1990-11-28 EP disclosed