SCHEMBL8718833

SCHEMBL8718833

O=c1[nH]ncn1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HTT P42858 1/20 0.54
NOTUM Q6P988 1/20 0.47
SCN5A Q14524 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PPARD Q03181 5/20 0.42
PPARA Q07869 5/20 0.42
PTGS2 P35354 1/20 0.41
GPR119 Q8TDV5 1/20 0.39
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39

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
SCHEMBL8718390 0.86 HTT (0.50) POLBL3MBTL1HTTNOTUMSCN5A
SCHEMBL9232299 0.80 HTT (0.54) POLBL3MBTL1HTTSCN5ATDP1
SCHEMBL9232197 0.80 HTT (0.44) POLBL3MBTL1HTTTDP1MAPT
SCHEMBL5906422 0.80 HTT (0.69) HTTNOTUMTDP1GPR119CMA1
SCHEMBL8718494 0.78 HCAR1 (0.51) POLBL3MBTL1HTTNOTUMLMNA
SCHEMBL8721370 0.78 HTT (0.48) POLBL3MBTL1HTTSCN5ATDP1
SCHEMBL6174527 0.76 HTT (0.46) POLBL3MBTL1HTTTDP1NPC1
SCHEMBL16659216 0.76 HTT (0.71) POLBL3MBTL1HTTTDP1MAPT
SCHEMBL8718617 0.75 HTT (0.54) HTTNOTUMTDP1MAPTRAB9A
SCHEMBL8718365 0.74 CYP11B2 (0.47) HTTNOTUMNPC1RAB9AGPR119

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567982-B1 Azole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-01 EP disclosed
US-5466820-A Fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-11-14 US disclosed
EP-0659751-A1 Optically active azole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-06-28 EP disclosed
US-5371101-A Fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
EP-0567982-A1 Azole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1993-11-03 EP disclosed