SCHEMBL29601804

SCHEMBL29601804

O=C(O)c1ccc(OC2CCOCC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GLA P06280 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
P4HTM Q9NXG6 2/20 0.46
GRM5 P41594 3/20 0.42
P4HA1 P13674 1/20 0.41
MIF P14174 1/20 0.41
APP P05067 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ACACB O00763 3/20 0.39
KAT2B Q92831 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
MAPK1 P28482 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL29078774 1.00 KDM4E (0.47) KDM4EL3MBTL1GLAHTTKMT2A
SCHEMBL31547061 0.89 KDM4E (0.53) KDM4EL3MBTL1GLAHTTKMT2A
SCHEMBL10328687 0.89 KDM4E (0.53) KDM4EL3MBTL1GLAHTTKMT2A
SCHEMBL10328691 0.86 KDM4E (0.54) KDM4EL3MBTL1GLAHTTKMT2A
SCHEMBL14166822 0.86 KDM4E (0.58) KDM4EL3MBTL1GLAHTTKMT2A
SCHEMBL29601311 0.85 MAPK1 (0.48) KDM4EL3MBTL1GRM5ACACBKAT2B
SCHEMBL27039798 0.85 GRM5 (0.42) GRM5ACACBGRIN1GRIN2BHRH3
SCHEMBL29601242 0.82 EGLN1 (0.47) GRM5ACACBKAT2BCSF1RFLT3
SCHEMBL29078712 0.82 EGLN1 (0.47) GRM5ACACBKAT2BCSF1RFLT3
SCHEMBL12525671 0.80 P4HTM (0.49) KDM4EL3MBTL1GLAHTTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232449-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2023-08-30 EP disclosed
CN-116547282-A Heterocyclic compounds and their use for the treatment of helminth infections and diseases 新基公司 2023-08-04 CN disclosed
WO-2022087326-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION (US) 2022-04-28 WO disclosed