SCHEMBL2561490

SCHEMBL2561490

Cc1cnc(-c2ccccc2OC(F)(F)F)c(B(O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.46
SCN9A Q15858 7/20 0.42
HSD11B1 P28845 1/20 0.41
TRPA1 O75762 1/20 0.40
KMT2A Q03164 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
S1PR1 P21453 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE10A Q9Y233 1/20 0.37
KIT P10721 1/20 0.37
CTSA P10619 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
SCHEMBL21352393 0.87 GPBAR1 (0.42) SCN9AHSD11B1TRPA1KMT2ACSNK2A2
SCHEMBL2559553 0.81 PDK2 (0.48) PDK2HSD11B1TRPA1KMT2AALDH1A1
SCHEMBL2556813 0.78 HSD11B1 (0.41) SCN9AHSD11B1CSNK2A2CSNK2BS1PR1
SCHEMBL2553137 0.77 ABL1 (0.44) SCN9AHSD11B1TRPA1S1PR1ALOX5AP
SCHEMBL2561191 0.77 SCN9A (0.43) SCN9AHSD11B1TRPA1CSNK2A2CSNK2B
SCHEMBL2557838 0.77 SCN10A (0.41) SCN9A
SCHEMBL2560373 0.76 DHODH (0.47) PDE10ACTSA
SCHEMBL2559126 0.75 HSD11B1 (0.40) SCN9AHSD11B1CSNK2A2CSNK2BS1PR1
SCHEMBL21352414 0.75 HSD11B1 (0.40) SCN9AHSD11B1TRPA1CSNK2A2CSNK2B
SCHEMBL27955785 0.75 HSD11B1 (0.50) SCN9AHSD11B1TRPA1S1PR1ALOX5AP

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