SCHEMBL16655571

SCHEMBL16655571

NC(=O)c1cccc(-c2ccccc2)c1CN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 5/20 0.50
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
BCAT2 O15382 1/20 0.49
PARP1 P09874 4/20 0.48
HPGD P15428 1/20 0.47
KLK7 P49862 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC2A1 P11166 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
USP2 O75604 1/20 0.46
PARP2 Q9UGN5 2/20 0.46
PARP3 Q9Y6F1 1/20 0.46
HTT P42858 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL1421951 0.82 KDM4E (0.47) ALDH1A1KDM4EMAPTPARP1SLC2A1
SCHEMBL31717616 0.81 PARP1 (0.59) ALDH1A1KDM4ESMN1; SMN2BCAT2PARP1
SCHEMBL29914760 0.80 KDM4E (0.58) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL20605347 0.80 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL31717432 0.80 PARP1 (0.58) ALDH1A1KDM4ESMN1; SMN2BCAT2PARP1
Hydrochloric Acid SCHEMBL31717811 0.79 ADORA2A (0.51) ALDH1A1KDM4EMAPTPARP1LMNA
SCHEMBL2679792 0.77 PARP1 (0.48) ALDH1A1KDM4EPARP1MEN1KMT2A
SCHEMBL2228234 0.76 KDM4E (0.58) ALDH1A1KDM4EMAPTSMN1; SMN2PARP1
SCHEMBL18040375 0.75 PARP1 (0.57) ALDH1A1KDM4EMAPTPARP1KMT2A
SCHEMBL2925004 0.75 PARP1 (0.48) ALDH1A1KDM4ESMN1; SMN2PARP1KLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4324525-A2 HYDROCHLORIDE SALT FORM FOR EZH2 INHIBITION Epizyme Inc (US) 2024-02-21 EP disclosed
EP-3057962-B1 HYDROCHLORIDE SALT FORM FOR EZH2 INHIBITION EPIZYME INC (US) 2023-10-18 EP disclosed
EP-3057962-A1 HYDROCHLORIDE SALT FORM FOR EZH2 INHIBITION Epizyme, Inc. (US) 2016-08-24 EP disclosed
WO-2015057859-A1 HYDROCHLORIDE SALT FORM FOR EZH2 INHIBITION Epizyme, Inc. (US) 2015-04-23 WO disclosed