SCHEMBL2562296

SCHEMBL2562296

COc1ccc(-c2cncc(B(O)O)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.55
ENPP2 Q13822 2/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CYP11B1 P15538 11/20 0.51
CYP11B2 P19099 11/20 0.51
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 1/20 0.49
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP8 Q96LD8 1/20 0.44

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
SCHEMBL29956258 0.83 ENPP2 (0.56) ENPP2CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL21960161 0.78 CYP11B1 (0.73) MAP4K4CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL4958 0.78 ENPP2 (0.52) MAP4K4ENPP2CA1CA2CYP11B1
SCHEMBL28832985 0.78 CA2 (0.86) ENPP2CA1CA2NPC1TP53
SCHEMBL257917 0.78 CA2 (0.86) ENPP2CA1CA2NPC1TP53
SCHEMBL15284962 0.77 CYP11B1 (0.76) MAP4K4CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL2555625 0.77 CYP11B2 (0.45) CA1CA2CYP11B1CYP11B2
SCHEMBL27263012 0.77 ENPP2 (0.67) ENPP2CA1CA2CYP1A2CYP3A4
Water SCHEMBL2422179 0.77 ENPP2 (0.50) MAP4K4ENPP2CA1CA2CYP11B1
SCHEMBL1304481 0.77 MGLL (0.59) ENPP2CA1CA2CYP11B1CYP11B2

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