SCHEMBL2558440

SCHEMBL2558440

Cc1ccc(-n2c(Cl)c(C=O)sc2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 5/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TLR9 Q9NR96 1/20 0.44
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
F2 P00734 1/20 0.36
ELANE P08246 1/20 0.36

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
SCHEMBL15330156 0.83 MEN1 (0.57) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2559173 0.82 MEN1 (0.41) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11306133 0.68 ALDH1A1 (0.44) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12987571 0.67 MEN1 (0.36) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23643024 0.67 GSK3A (0.60) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9039798 0.66 ALDH1A1 (0.41) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12613234 0.64 GSK3A (0.57) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11734241 0.64 GSK3A (0.57) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15332689 0.63 RAB9A (0.47) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2348488 0.62 MAPT (0.48) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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