SCHEMBL15330585

SCHEMBL15330585

COc1cc(B(O)O)ccc1-c1ncon1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
HCRTR1 O43613 5/20 0.35
HCRTR2 O43614 5/20 0.35
CYP3A4 P08684 4/20 0.35
KDR P35968 2/20 0.34
CASP6 P55212 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL15330562 0.81 ENPP2 (0.38) ENPP2CA1CA2HCRTR1HCRTR2
SCHEMBL2550962 0.81 ENPP2 (0.38) ENPP2CA1CA2CASP6
SCHEMBL15330784 0.77 MGLL (0.35) ENPP2CASP6
SCHEMBL15331346 0.77 ABL1 (0.37) ENPP2HCRTR1HCRTR2CYP3A4CASP6
SCHEMBL493233 0.73 SMN1; SMN2 (0.51) CA2CYP3A4NPC1RAB9AKDM4E
SCHEMBL15329720 0.72 CASP6 (0.43) HCRTR1HCRTR2CYP3A4CASP6
SCHEMBL14951245 0.70 ACHE (0.44) HCRTR1HCRTR2CYP3A4NPC1RAB9A
SCHEMBL15330020 0.70 CA2 (0.42) ENPP2CA1CA2KDM4E
SCHEMBL15331474 0.69 CASP6 (0.43) HCRTR1HCRTR2CYP3A4CASP6NPC1
SCHEMBL23114 0.69 ENPP2 (0.52) ENPP2CA1CA2CYP3A4KDR

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 5 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