SCHEMBL2552487

SCHEMBL2552487

COc1ccc(-c2ccc(B(O)O)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ ENPP2 Q13822 1/20 0.47
▸ PDGFRB P09619 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ EGLN1 Q9GZT9 1/20 0.43
▸ CLK4 Q9HAZ1 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ CASP3 P42574 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SENP7 Q9BQF6 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ DYRK1A Q13627 3/20 0.42
▸ MAP4K4 O95819 2/20 0.41

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
SCHEMBL426511 0.85 CA1 (0.48) ESR2CA1CA2ENPP2CLK4
SCHEMBL29954412 0.85 CA1 (0.48) ESR2CA1CA2ENPP2CLK4
SCHEMBL2239434 0.82 FYN (0.51) ENPP2PDGFRBPDGFRAEGLN1CLK4
Hydrochloric Acid SCHEMBL2242352 0.81 FYN (0.50) ENPP2PDGFRBPDGFRAEGLN1CLK4
SCHEMBL23098900 0.77 MGLL (0.50) CA1CA2NPC1RAB9ASMN1; SMN2
SCHEMBL28906840 0.75 KIF11 (0.47) NPC1RAB9AKDM4EALDH1A1
SCHEMBL1422493 0.73 MKNK1 (0.59) ESR2CA1CA2PDGFRBPDGFRA
SCHEMBL3716990 0.73 RXFP1 (0.62) ESR2PDGFRBPDGFRACLK4NPC1
SCHEMBL3265456 0.73 DYRK1A (0.56) ESR2CA1CA2PDGFRBPDGFRA
SCHEMBL257917 0.72 CA2 (0.86) ESR2CA1CA2ENPP2NPC1

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
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