SCHEMBL2556986

SCHEMBL2556986

Cc1ccc(-c2csc(B(O)O)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 3/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 2/20 0.38
IDO1 P14902 1/20 0.38
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
ORAI3 Q9BRQ5 1/20 0.35
TRPV6 Q9H1D0 1/20 0.35
MMP12 P39900 1/20 0.35
MCL1 Q07820 1/20 0.33
GFER P55789 1/20 0.33
ALAD P13716 2/20 0.33
POLB P06746 2/20 0.32
KMT2A Q03164 1/20 0.32
NOTUM Q6P988 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
SCHEMBL2555036 0.81 ALDH1A1 (0.38) ALDH1A1MAPTRAB9AGAAORAI1
SCHEMBL2556636 0.80 ATP4A (0.39) ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL2558010 0.80 NPC1 (0.46) CA2ALDH1A1NPC1MAPTRAB9A
SCHEMBL290331 0.80 MGLL (0.45) CA2ALDH1A1NPC1MAPTRAB9A
SCHEMBL247721 0.74
SCHEMBL2561002 0.73 MCL1 (0.37) CA2NPC1MAPTRAB9AMCL1
SCHEMBL14198883 0.73 ALDH1A1 (0.41) ALDH1A1NPC1MAPTRAB9AGAA
SCHEMBL2560661 0.70 ESR2 (0.47) ALDH1A1MAPTKMT2AKDM4E
SCHEMBL14227569 0.69 RAB9A (0.37) ALDH1A1NPC1MAPTRAB9AGAA
SCHEMBL1800477 0.68 ALAD (0.69) ALDH1A1RAB9AGAAMMP12MCL1

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