SCHEMBL8720958

SCHEMBL8720958

O=c1[nH]nnn1-c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MGAT2 Q10469 6/20 0.39
MOGAT2 Q3SYC2 6/20 0.39
CACNA2D1 P54289 3/20 0.38
CACNA2D2 Q9NY47 3/20 0.38
PDE10A Q9Y233 1/20 0.37
SCN5A Q14524 1/20 0.36
LIPE Q05469 3/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
KCNH2 Q12809 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
SCHEMBL8723231 0.89 MGAT2 (0.36) PRMT1PTGS1PTGS2MGAT2MOGAT2
SCHEMBL8718627 0.87 HTT (0.41) PRMT1MGAT2MOGAT2POLBL3MBTL1
SCHEMBL5905912 0.81 L3MBTL1 (0.55) PRMT1SCN5APOLBL3MBTL1TRPM8
SCHEMBL2161285 0.79 ATM (0.47) L3MBTL1RAB9A
SCHEMBL8721252 0.77 PTGS1 (0.40) PRMT1PTGS1PTGS2CACNA2D1CACNA2D2
SCHEMBL8718585 0.77 L3MBTL1 (0.42) MGAT2MOGAT2SCN5APOLBL3MBTL1
SCHEMBL9232299 0.75 HTT (0.54) PRMT1PTGS1PTGS2SCN5ALIPE
SCHEMBL8598461 0.75 L3MBTL1 (0.48) POLBL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL5906042 0.75 ATM (0.44) PTGS2
SCHEMBL8603740 0.73 NPBWR1 (0.47) SMN1; SMN2

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 4 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
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