SCHEMBL2554986

SCHEMBL2554986

CCN1CCN(Cc2ccc(B(O)O)cc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 7/20 0.44
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
GFER P55789 1/20 0.41
POLB P06746 3/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL29953357 0.85 KDM4E (0.64) KDM4ESMN1; SMN2ALDH1A1GFERHRH3
SCHEMBL19211657 0.85 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1KMT2ATDP1
SCHEMBL15330847 0.85 KDM4E (0.52) KDM4ESMN1; SMN2ALDH1A1KMT2ATDP1
SCHEMBL2563675 0.83 ALDH1A1 (0.46) KDM4ESMN1; SMN2ALDH1A1KMT2ATDP1
SCHEMBL2562320 0.83 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1KMT2ATDP1
SCHEMBL428266 0.82 CYP2A13 (0.56) KDM4ESMN1; SMN2ALDH1A1KMT2ATDP1
SCHEMBL30519205 0.81 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1TDP1GAA
SCHEMBL29044212 0.81 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1TDP1GAA
SCHEMBL29952220 0.80 ADRB2 (0.46) KDM4ESMN1; SMN2ALDH1A1KMT2ATDP1
SCHEMBL2564208 0.79 ALDH1A1 (0.49) KDM4ESMN1; SMN2ALDH1A1KMT2ATDP1

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