SCHEMBL2560065

SCHEMBL2560065

Cc1nccc(B(O)O)c1-c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.43
CYP1A2 P05177 7/20 0.43
CYP3A4 P08684 6/20 0.43
HSD17B10 Q99714 4/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP2C19 P33261 4/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 2/20 0.43
MAPK1 P28482 2/20 0.43
HIF1A Q16665 1/20 0.43
KMO O15229 1/20 0.42
CYP2D6 P10635 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2C9 P11712 2/20 0.38
SLC6A7 Q99884 1/20 0.38
TRPA1 O75762 1/20 0.37
CLK4 Q9HAZ1 2/20 0.37
SLC22A12 Q96S37 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL2559962 0.85 CYP1A2 (0.43) HSD11B1CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL2557567 0.79 HSD11B1 (0.43) HSD11B1CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL2560966 0.79 HSD11B1 (0.41) HSD11B1ALDH1A1CYP2D6CYP2C9TRPA1
SCHEMBL2558667 0.77 CYP1A2 (0.43) HSD11B1CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL2561639 0.75 CNR2 (0.37) HSD11B1KDM4E
SCHEMBL2553308 0.74 KIF11 (0.43)
SCHEMBL2557148 0.73 PDK2 (0.42) HSD11B1CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL2561175 0.72 HSD11B1 (0.42) HSD11B1CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL7394302 0.72 HSD11B1 (0.46) HSD11B1CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL2558643 0.72 KMO (0.46) HSD11B1CYP1A2CYP3A4HSD17B10CYP2C19

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