SCHEMBL2556458

SCHEMBL2556458

Nc1ncc(-c2ccccc2C(F)(F)F)cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.46
ALOX5AP P20292 2/20 0.44
FEN1 P39748 2/20 0.44
SCN9A Q15858 5/20 0.42
ERN1 O75460 2/20 0.42
ATR Q13535 2/20 0.41
AR P10275 1/20 0.40
TRPA1 O75762 4/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
CLK4 Q9HAZ1 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
SCHEMBL2558231 0.81 ERN1 (0.47) BACE1ALOX5APFEN1ERN1GRIN2B
SCHEMBL2557550 0.80 ALOX5AP (0.47) ALOX5APFEN1SCN9AERN1TRPA1
SCHEMBL28066001 0.76 BACE1 (0.52) BACE1ALOX5APFEN1SCN9AERN1
SCHEMBL15333189 0.76 ATR (0.42) BACE1ALOX5APFEN1SCN9AATR
SCHEMBL2560338 0.76 ERN1 (0.39) ALOX5APFEN1ERN1GRIN1GRIN2B
SCHEMBL2553149 0.76 ALOX5AP (0.45) BACE1ALOX5APFEN1SCN9AERN1
SCHEMBL29955261 0.76 MAP4K4 (0.49)
SCHEMBL14276837 0.76 MAP4K4 (0.49)
SCHEMBL2560884 0.75 MAP4K4 (0.54) ALOX5APFEN1GRIN1GRIN2B
SCHEMBL2562225 0.75 PARP1 (0.49) ATRGRIN1GRIN2BALDH1A1

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