SCHEMBL9506622

SCHEMBL9506622

Cc1ccncc1C(=O)OC(=O)c1cccnc1C.[NaH].[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.48
SIRT3 Q9NTG7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
NAMPT P43490 1/20 0.36
TYK2 P29597 2/20 0.36
ALDH1A1 P00352 2/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
ICOSLG O75144 1/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
ICOS Q9Y6W8 1/20 0.36
CYP17A1 P05093 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
Iodide SCHEMBL19357606 0.83 P2RX7 (0.61) P2RX7TDP1ALDH1A1L3MBTL1KDM4E
SCHEMBL9506617 0.78 SIRT3 (0.49) P2RX7SIRT3TDP1GPBAR1NAMPT
SCHEMBL1248162 0.73 P2RX7 (0.66) P2RX7TDP1ALDH1A1L3MBTL1KDM4E
SCHEMBL27819878 0.73 P2RX7 (0.66) P2RX7TDP1ALDH1A1L3MBTL1KDM4E
SCHEMBL1440123 0.73 SIRT3 (0.61) SIRT3TDP1ALDH1A1L3MBTL1KDM4E
SCHEMBL30957166 0.73 SIRT3 (0.61) SIRT3TDP1ALDH1A1L3MBTL1KDM4E
SCHEMBL23830170 0.72 P2RX7 (0.59) P2RX7TDP1ALDH1A1L3MBTL1KDM4E
SCHEMBL12230973 0.72 P2RX7 (0.59) P2RX7TDP1ALDH1A1L3MBTL1KDM4E
SCHEMBL3964969 0.72 TDP1 (0.65) SIRT3TDP1NPC1RAB9ATYK2
SCHEMBL5802324 0.72 TDP1 (0.59) SIRT3TDP1NPC1RAB9ATYK2

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-0272903-B1 PROCESS FOR PRODUCING A POLYARYLENE SULFIDE Tosoh Corporation (JP) 1993-07-21 EP disclosed
EP-0272903-A2 Process for producing a polyarylene sulfide Tosoh Corporation (JP) 1988-06-29 EP disclosed