SCHEMBL8723274

SCHEMBL8723274

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
CMA1 P23946 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2C9 P11712 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL8105481 0.85 HTT (0.39) USP2MAPTTSHRCMA1SMN1; SMN2
SCHEMBL8718863 0.85 CMA1 (0.37) USP2MAPTTSHRCMA1L3MBTL1
SCHEMBL8723280 0.82 CMA1 (0.41) CMA1
SCHEMBL8718743 0.81 USP2 (0.46) USP2MAPTTSHRCMA1CYP1A2
SCHEMBL8718847 0.79 ACACB (0.41) MAPTTSHRCMA1LMNASMN1; SMN2
SCHEMBL9016101 0.78 CMA1 (0.35) CMA1CYP1A2CYP2C19L3MBTL1CYP2C9
SCHEMBL8718629 0.78 USP2 (0.46) USP2MAPTTSHRCYP1A2CYP2C19
SCHEMBL8111166 0.77 TRPV1 (0.37) MAPTTSHRCMA1LMNANPSR1
SCHEMBL8721198 0.72 POLB (0.49) MAPTCMA1CYP1A2CYP2C19LMNA
SCHEMBL22710206 0.70 MAPT (0.55) USP2MAPTTSHRCYP1A2CYP2C19

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