SCHEMBL2557550

SCHEMBL2557550

Nc1ncc(-c2ccccc2OC(F)(F)F)cc1C=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.47
FEN1 P39748 1/20 0.47
SCN9A Q15858 14/20 0.43
TRPA1 O75762 1/20 0.43
SCN10A Q9Y5Y9 2/20 0.41
SCN5A Q14524 1/20 0.40
CYP2C9 P11712 2/20 0.40
CAMKK2 Q96RR4 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
ERN1 O75460 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
SCHEMBL2556458 0.80 BACE1 (0.46) ALOX5APFEN1SCN9ATRPA1SCN10A
SCHEMBL2558231 0.78 ERN1 (0.47) ALOX5APFEN1ERN1
SCHEMBL2560097 0.78 ALOX5AP (0.48) ALOX5APFEN1SCN9ATRPA1SCN10A
SCHEMBL15330978 0.78 ALOX5AP (0.43) ALOX5APFEN1SCN9ATRPA1SCN10A
SCHEMBL2557668 0.77 CA12 (0.47) ALOX5APFEN1SCN9ASCN10ASCN5A
SCHEMBL2559138 0.77 ATR (0.46) SCN10A
SCHEMBL2560338 0.73 ERN1 (0.39) ALOX5APFEN1ERN1
SCHEMBL14276837 0.73 MAP4K4 (0.49)
SCHEMBL29955261 0.73 MAP4K4 (0.49)
SCHEMBL6535970 0.73 ALDH1A1 (0.44) SCN9ATRPA1SCN10AFFAR4

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