SCHEMBL2556813

SCHEMBL2556813

Cc1c(B(O)O)ccnc1-c1ccccc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SCN9A Q15858 9/20 0.38
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
S1PR1 P21453 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CNR2 P34972 1/20 0.35
KCNN4 O15554 1/20 0.35
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL21352414 0.85 HSD11B1 (0.40) HSD11B1ALDH1A1L3MBTL1SCN9ACSNK2A2
SCHEMBL2559126 0.83 HSD11B1 (0.40) HSD11B1ALDH1A1L3MBTL1SCN9ACSNK2A2
SCHEMBL2560966 0.81 HSD11B1 (0.41) HSD11B1ALDH1A1L3MBTL1SCN9AS1PR1
SCHEMBL2557567 0.79 HSD11B1 (0.43) HSD11B1ALDH1A1
SCHEMBL2561490 0.78 PDK2 (0.46) HSD11B1ALDH1A1L3MBTL1SCN9ACSNK2A2
SCHEMBL15330093 0.77 HSD11B1 (0.40) HSD11B1ALDH1A1L3MBTL1SCN9AFFAR4
SCHEMBL21352419 0.77 HSD11B1 (0.43) HSD11B1ALDH1A1L3MBTL1SCN9ACSNK2A2
SCHEMBL2561191 0.77 SCN9A (0.43) HSD11B1ALDH1A1L3MBTL1SCN9ACSNK2A2
SCHEMBL10094702 0.76 HSD11B1 (0.46) HSD11B1ALDH1A1L3MBTL1SCN9AS1PR1
SCHEMBL2556074 0.75 TRPV1 (0.46) ALDH1A1SCN9ASCN5ASCN2ASCN10A

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