SCHEMBL2562408

SCHEMBL2562408

COC(=O)c1ccc(B(O)O)cc1OC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.42
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
PDK2 Q15119 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
PDK4 Q16654 1/20 0.38
ABL1 P00519 3/20 0.38
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 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
SCHEMBL189207 0.83 KDM4E (0.46) PDK2CA12CA1CA2CA7
SCHEMBL22954127 0.80 MAPT (0.47) CFTRKCNK3KCNK9PDK2CA12
SCHEMBL21842996 0.80 CA12 (0.57) CFTRKCNK3KCNK9PDK2CA12
SCHEMBL516923 0.79 ALPL (0.47) CFTRKCNK3KCNK9PDK2CA12
SCHEMBL2555370 0.79 CFTR (0.49) CFTRPDK2CA12CA1CA2
SCHEMBL9110483 0.77 CA1 (0.47) CFTRPDK2CA12CA1CA2
SCHEMBL20638904 0.76 ENPP2 (0.41) KCNK3KCNK9CA12CA1CA2
SCHEMBL363322 0.76 CA1 (0.43) CFTRPDK2CA12CA1CA2
SCHEMBL29953216 0.76 ENPP2 (0.41) KCNK3KCNK9CA1CA2ABL1
SCHEMBL2557492 0.76 CFTR (0.44) CFTRPDK2CA12CA1CA2

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