SCHEMBL2553149

SCHEMBL2553149

Nc1cc(C=O)c(-c2ccccc2C(F)(F)F)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.45
FEN1 P39748 2/20 0.45
BACE1 P56817 1/20 0.44
EGFR P00533 2/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 3/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
KMO O15229 1/20 0.38
SCN9A Q15858 1/20 0.38
ERN1 O75460 1/20 0.38
TRPA1 O75762 4/20 0.37
CYP1A2 P05177 3/20 0.37
TRPM8 Q7Z2W7 2/20 0.37
TRPV1 Q8NER1 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL2557751 0.81 FEN1 (0.43) ALOX5APFEN1BACE1ALDH1A1ERN1
SCHEMBL2560097 0.80 ALOX5AP (0.48) ALOX5APFEN1CYP3A4CYP2D6SCN9A
SCHEMBL29955239 0.78 ALOX5AP (0.39) ALOX5APFEN1EGFRERN1PIK3CD
SCHEMBL2556458 0.76 BACE1 (0.46) ALOX5APFEN1BACE1CYP3A4CYP2D6
SCHEMBL15331733 0.75 FEN1 (0.39) ALOX5APFEN1BACE1ERN1
SCHEMBL2562852 0.75 FEN1 (0.56) ALOX5APFEN1EGFR
SCHEMBL29955163 0.75 FGFR1 (0.47) ALOX5APFEN1
SCHEMBL2558043 0.75 ALOX5AP (0.53) ALOX5APFEN1EGFRALDH1A1MAPK1
SCHEMBL2439088 0.75 ALOX5AP (0.39) ALOX5APFEN1BACE1EGFRERN1
SCHEMBL4846671 0.74 MEN1 (0.46) ALDH1A1TDP1TSHR

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