SCHEMBL2555872

SCHEMBL2555872

NC(=S)NNC(=O)c1ccc(B(O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.59
CA9 Q16790 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 2/20 0.46
TRPV1 Q8NER1 4/20 0.44
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL29123185 0.81 CA1 (0.67) CA1CA9SMN1; SMN2GAAALDH1A1
SCHEMBL15329597 0.79 RAB9A (0.64) SMN1; SMN2GAATRPV1ALDH1A1
SCHEMBL7819605 0.78 CA1 (0.62) CA1CA9SMN1; SMN2GAAALDH1A1
SCHEMBL20528632 0.78 CA1 (0.62) CA1CA9SMN1; SMN2GAAALDH1A1
SCHEMBL37273 0.77 ALDH1A1 (0.68) CA1CA9SMN1; SMN2GAAALDH1A1
SCHEMBL6538536 0.75 CTDSP1 (0.72) CA1CA9SMN1; SMN2GAAALDH1A1
SCHEMBL1445863 0.75 MPO (0.59) CA1CA9TRPV1ALDH1A1
SCHEMBL2998472 0.74 CA1 (1.00) CA1CA9SMN1; SMN2GAAALDH1A1
SCHEMBL16066515 0.74 ALDH1A1 (0.55) SMN1; SMN2GAATRPV1ALDH1A1
SCHEMBL7326864 0.74 CRHBP (0.69) CA1CA9SMN1; SMN2GAAALDH1A1

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