SCHEMBL2558010

SCHEMBL2558010

COc1ccc(-c2csc(B(O)O)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ENPP2 Q13822 2/20 0.46
ESR2 Q92731 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
DYRK1A Q13627 2/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
APP P05067 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40

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
SCHEMBL2559250 0.82 HSD17B1 (0.50) NPC1RAB9ASMN1; SMN2ENPP2DYRK1A
SCHEMBL2556986 0.80 CA2 (0.40) NPC1RAB9ACA2POLBMAPT
SCHEMBL9125858 0.77 ENPP2 (0.40) ENPP2CA1CA2ALDH1A1
SCHEMBL290331 0.76 MGLL (0.45) NPC1RAB9ASMN1; SMN2ENPP2CA1
SCHEMBL1684447 0.76 SLC2A1 (0.44) TP53MAPK1ENPP2CA1CA2
SCHEMBL28527074 0.74 APP (0.45) NPC1RAB9ASMN1; SMN2TP53ENPP2
SCHEMBL1181336 0.74 APP (0.55) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL17715302 0.73 RAB9A (0.46) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL10957734 0.72 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL2557653 0.72 ERN1 (0.44) ENPP2CA1CA2APPERN1

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