SCHEMBL7972147

SCHEMBL7972147

O=P(O)(O)c1ccnc2c1ccc1c(P(=O)(O)O)ccnc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.42
CCR5 P51681 3/20 0.42
CCR8 P51685 3/20 0.42
L3MBTL1 Q9Y468 4/20 0.32
NPC1 O15118 3/20 0.32
POLB P06746 2/20 0.32
PTK2B Q14289 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.31
FDPS P14324 1/20 0.31
KDM4E B2RXH2 2/20 0.31
KDM4A O75164 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
HIF1AN Q9NWT6 1/20 0.31
ALPG P10696 1/20 0.31
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA5A P35218 1/20 0.30

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
SCHEMBL17773855 0.86 CCR1 (0.54) CCR1CCR5CCR8L3MBTL1ALDH1A1
SCHEMBL10040009 0.74 NCF1 (0.47) NPC1PTK2BRAB9AALDH1A1FDPS
SCHEMBL5349802 0.65 TOP2A (0.49) FDPS
SCHEMBL10040004 0.64 KDM4E (0.48) L3MBTL1POLBALDH1A1KDM4E
SCHEMBL22999952 0.64 CA2 (0.48) L3MBTL1NPC1POLBPTK2BRAB9A
SCHEMBL4388890 0.64 PTK2B (0.42) L3MBTL1NPC1POLBPTK2BRAB9A
SCHEMBL29757404 0.64 PTK2B (0.42) L3MBTL1NPC1POLBPTK2BRAB9A
SCHEMBL30667418 0.64 CA2 (0.48) L3MBTL1NPC1POLBPTK2BRAB9A
SCHEMBL29757386 0.64 CA2 (0.48) L3MBTL1NPC1POLBPTK2BRAB9A
SCHEMBL28946114 0.64 FDPS (0.39) L3MBTL1ALDH1A1FDPSKDM4EKDM4A

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
US-6274806-B1 DYE SENSITIZED ELECTRODE OF A SUBSTRATE WITH ELECTRICAL CONDUCTIVE SURFACE, AN OXIDE SEMICONDUCTOR FILM FORMED ON IT, WHICH SUPPORTS A PLATINUM COMPLEX AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2001-08-14 US disclosed