SCHEMBL2560903

SCHEMBL2560903

Nc1ccc(-c2ccccc2OC(F)(F)F)c(C=O)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 4/20 0.46
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SCN9A Q15858 8/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
MPL P40238 1/20 0.39
TRPA1 O75762 1/20 0.38
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
S1PR1 P21453 1/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD11B1 P28845 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
SCHEMBL261988 0.81 SCN10A (0.57) SCN10AALOX5APFEN1POLBNPSR1
SCHEMBL14744097 0.80 ALOX5AP (0.48) SCN10AALOX5APFEN1POLBNPSR1
SCHEMBL2557472 0.78 BACE1 (0.49) ALOX5APFEN1POLBTRPA1ALDH1A1
SCHEMBL15331108 0.76 BACE1 (0.45) ALOX5APFEN1MPLALDH1A1
SCHEMBL14744073 0.76 SCN10A (0.44) SCN10AALOX5APFEN1POLBNPSR1
SCHEMBL14744541 0.76 SCN10A (0.44) SCN10AALOX5APFEN1POLBNPSR1
SCHEMBL2560302 0.76 SCN9A (0.41) ALOX5APFEN1SCN9ASCN5A
SCHEMBL2555338 0.75 XDH (0.48) SCN10AALOX5APFEN1S1PR1
SCHEMBL2560097 0.73 ALOX5AP (0.48) SCN10AALOX5APFEN1POLBNPSR1
SCHEMBL7701143 0.73 ALDH1A1 (0.50) SCN10AALOX5APFEN1POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed