SCHEMBL2558085

SCHEMBL2558085

COCCOc1cncc(B(O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
KDR P35968 3/20 0.37
ENPP2 Q13822 2/20 0.37
CYP3A4 P08684 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
GGPS1 O95749 2/20 0.35
MAPK9 P45984 1/20 0.35
MAPKAPK2 P49137 1/20 0.35

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
SCHEMBL1304326 0.95 CHRNB2 (0.40) CHRNB2CHRNA4KDRENPP2CYP3A4
SCHEMBL13651756 0.86 GGPS1 (0.38) CHRNB2CHRNA4GGPS1
SCHEMBL2215603 0.85 GGPS1 (0.39) CHRNB2CHRNA4GGPS1
SCHEMBL2214024 0.81 CYP11B1 (0.42) CHRNB2CHRNA4ENPP2
SCHEMBL29955628 0.81 CYP11B1 (0.42) CHRNB2CHRNA4ENPP2
SCHEMBL4958 0.78 ENPP2 (0.52) CHRNB2CHRNA4ENPP2CYP3A4
SCHEMBL6583296 0.77 CHRNB2 (0.49) CHRNB2CHRNA4CYP3A4ADORA2AADORA1
SCHEMBL23461674 0.77 CHRNB2 (0.48) CHRNB2CHRNA4CYP3A4
Water SCHEMBL2422179 0.77 ENPP2 (0.50) CHRNB2CHRNA4ENPP2CYP3A4
SCHEMBL29996980 0.77 CHRNB2 (0.48) CHRNB2CHRNA4CYP3A4

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