SCHEMBL2555682

SCHEMBL2555682

COc1ccc(B(O)O)cc1CN(C)CC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ENPP2 Q13822 3/20 0.36
CHRM2 P08172 1/20 0.35
FGFR1 P11362 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
HTR7 P34969 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KDM4E B2RXH2 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL18706356 0.81 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1POLBENPP2
SCHEMBL2556405 0.78 ACHE (0.41) ALDH1A1KMT2AMEN1BCHEACHE
SCHEMBL29954575 0.77 CHRM2 (0.47) ALDH1A1KMT2AMEN1CHRM2BCHE
SCHEMBL29954150 0.77 CHRM2 (0.40) ALDH1A1KMT2AMEN1ENPP2CHRM2
SCHEMBL29952179 0.77 CHRM2 (0.50) CHRM2BCHEACHE
SCHEMBL18529899 0.74 PDE4A (0.46) ENPP2CA1CA2
SCHEMBL21396 0.74 ENPP2 (0.44) ALDH1A1KMT2AMEN1ENPP2CA1
SCHEMBL29953032 0.73 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1POLBENPP2
SCHEMBL16576656 0.73 ENPP2 (0.43) ENPP2CA1CA2
SCHEMBL29954950 0.72 HTR1A (0.42) ALDH1A1POLBHTR2CENPP2BCHE

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