SCHEMBL29809372

SCHEMBL29809372

COC(=O)[C@@H](C)CN[C@H](C)Cc1c[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
APAF1 O14727 1/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59
RECQL P46063 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 1/20 0.56
ADRB3 P13945 5/20 0.55
ADRB1 P08588 4/20 0.55
ADRB2 P07550 3/20 0.55
MEN1 O00255 1/20 0.54
HCRTR1 O43613 1/20 0.54
KMT2A Q03164 1/20 0.54
ACE P12821 1/20 0.53
MIF P14174 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53

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
SCHEMBL20441342 1.00 KDM4E (0.59) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL29809220 1.00 KDM4E (0.59) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL20441336 1.00 KDM4E (0.59) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL21483311 1.00 KDM4E (0.59) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL20441341 1.00 KDM4E (0.59) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL20425224 0.88 KDM4E (0.73) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL20425212 0.88 KDM4E (0.73) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL20425214 0.88 KDM4E (0.73) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL8258964 0.87 KDM4E (0.72) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL10276380 0.87 KDM4E (0.72) KDM4EAPAF1POLBMAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3689873-B1 ESTROGEN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2022-09-14 EP disclosed
CN-110214140-B Estrogen receptor modulators 阿斯利康(瑞典)有限公司 2022-08-30 CN disclosed