SCHEMBL2560367

SCHEMBL2560367

CCOc1cc(C=O)ccc1OCc1cc(Br)cs1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.56
ALDH1A1 P00352 12/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
FDPS P14324 1/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 2/20 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
SCHEMBL2557419 0.88 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPTHPGDL3MBTL1
SCHEMBL2559291 0.88 ALDH1A1 (0.55) TACR2ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL29956345 0.84 ALDH1A1 (0.44) TACR2ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL15330861 0.82 ALDH1A1 (0.41) TACR2ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL493684 0.80 ALDH1A1 (0.73) TACR2ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL30159697 0.80 ALDH1A1 (0.73) TACR2ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL29955622 0.79 TACR2 (0.55) TACR2ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL2558592 0.78 MAPT (0.45) ALDH1A1SMN1; SMN2MAPTHPGDKDM4E
SCHEMBL2556416 0.78 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTHPGDKDM4E
SCHEMBL29958389 0.76 RAB9A (0.47) ALDH1A1SMN1; SMN2MAPTHPGDL3MBTL1

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