SCHEMBL2555656

SCHEMBL2555656

CC1(C)CCN(Cc2ccc(F)cc2B(O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 5/20 0.42
CYP2D6 P10635 2/20 0.41
CXCR3 P49682 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MPO P05164 1/20 0.38
DRD2 P14416 4/20 0.38
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
KCNH2 Q12809 2/20 0.38
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CFTR P13569 1/20 0.36
MAPK1 P28482 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 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
SCHEMBL29951642 0.84 KDM4E (0.66) KDM4ESMN1; SMN2ALDH1A1TDP1
SCHEMBL2564208 0.83 ALDH1A1 (0.49) KDM4ESMN1; SMN2ALDH1A1TDP1MPO
SCHEMBL2562320 0.81 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1CXCR3TDP1
SCHEMBL2556814 0.80 MPO (0.44) ALDH1A1CYP2D6MPOGAA
SCHEMBL2560574 0.78 ALDH1A1 (0.48) KDM4ESMN1; SMN2ALDH1A1TDP1DRD2
SCHEMBL15332000 0.78 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1TDP1MPO
SCHEMBL15330858 0.78 KDM4E (0.38) KDM4ESMN1; SMN2ALDH1A1CYP2D6TDP1
SCHEMBL2561401 0.77 ALDH1A1 (0.47) KDM4ESMN1; SMN2ALDH1A1TDP1MPO
SCHEMBL2562247 0.77 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1CYP2D6TDP1
SCHEMBL15331166 0.75 GRM5 (0.41) KDM4ESMN1; SMN2ALDH1A1TDP1DRD2

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