SCHEMBL8721198

SCHEMBL8721198

O=c1[nH]ccn1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SCN5A Q14524 1/20 0.40
CMA1 P23946 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
NOTUM Q6P988 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
EPHX2 P34913 1/20 0.37
PTGS2 P35354 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36

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
SCHEMBL8111166 0.86 TRPV1 (0.37) POLBL3MBTL1MAPTNPC1RAB9A
SCHEMBL8723280 0.80 CMA1 (0.41) SCN5ACMA1LIPEMCHR1
SCHEMBL5906085 0.80 TRPV1 (0.41) POLBCMA1CES1
SCHEMBL8354925 0.78 ATM (0.47) POLBL3MBTL1MAPTRAB9ALMNA
SCHEMBL8718863 0.78 CMA1 (0.37) POLBL3MBTL1MAPTCMA1CYP2D6
SCHEMBL8105481 0.76 HTT (0.39) MAPTNPSR1CMA1CYP2D6MEN1
SCHEMBL8723165 0.75 MGLL (0.41) POLBMAPTLMNACMA1
SCHEMBL4666220 0.75 POLB (0.41) POLBCMA1CYP2D6
SCHEMBL8718833 0.74 POLB (0.56) POLBL3MBTL1MAPTNPC1RAB9A
SCHEMBL9016101 0.74 CMA1 (0.35) L3MBTL1CMA1CYP2D6CYP1A2CYP2C9

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