SCHEMBL2561401

SCHEMBL2561401

COC1CCN(Cc2ccc(F)cc2B(O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNH2 Q12809 2/20 0.42
LIPE Q05469 2/20 0.42
ADRB2 P07550 1/20 0.40
MAP4K4 O95819 1/20 0.39
MPO P05164 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
SCHEMBL2560574 0.82 ALDH1A1 (0.48) ALDH1A1TDP1KDM4ESMN1; SMN2
SCHEMBL29952220 0.82 ADRB2 (0.46) ALDH1A1GAATDP1KDM4ESMN1; SMN2
SCHEMBL29951642 0.80 KDM4E (0.66) ALDH1A1TDP1KDM4ESMN1; SMN2
SCHEMBL2564208 0.79 ALDH1A1 (0.49) ALDH1A1GAATDP1KDM4ESMN1; SMN2
SCHEMBL2555656 0.77 KDM4E (0.46) ALDH1A1GAATDP1KDM4ESMN1; SMN2
SCHEMBL29950866 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EMAP4K4
SCHEMBL15332000 0.74 KDM4E (0.53) ALDH1A1TDP1KDM4ESMN1; SMN2MPO
SCHEMBL2562247 0.73 KDM4E (0.49) ALDH1A1GAATDP1KDM4ESMN1; SMN2
SCHEMBL15330514 0.71 LTA4H (0.49) ALDH1A1KDM4EADRB2
SCHEMBL29953993 0.70 HTR1A (0.44) ALDH1A1TDP1KDM4EKCNH2LIPE

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