SCHEMBL2562816

SCHEMBL2562816

NC(=O)c1ccccc1OCCC=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.74
KMT2A Q03164 4/20 0.60
LMNA P02545 4/20 0.60
MEN1 O00255 3/20 0.60
HTT P42858 3/20 0.60
MAPT P10636 2/20 0.60
NR1I2 O75469 1/20 0.60
CHRM2 P08172 1/20 0.60
CYP3A4 P08684 1/20 0.60
ADRA2A P08913 1/20 0.60
OPRK1 P41145 1/20 0.60
HTR2B P41595 1/20 0.60
SLC6A3 Q01959 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
PARP1 P09874 1/20 0.53
TBXAS1 P24557 1/20 0.51
HTR1A P08908 1/20 0.49
CTNNB1 P35222 1/20 0.49
ALDH1A1 P00352 3/20 0.47
IRAK4 Q9NWZ3 1/20 0.47

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
SCHEMBL2551243 0.83 KDM4E (0.59) KDM4EKMT2ALMNAMEN1HTT
SCHEMBL1894429 0.81 KMT2A (0.66) KDM4EKMT2ALMNAMEN1HTT
SCHEMBL11547493 0.81 KDM4E (0.66) KDM4EKMT2ALMNAMEN1HTT
SCHEMBL30144700 0.81 KDM4E (0.85) KDM4EKMT2ALMNAMEN1HTT
Formic Acid SCHEMBL5396723 0.81 LMNA (0.70) KDM4EKMT2ALMNAMEN1HTT
SCHEMBL8042223 0.79 KMT2A (0.64) KDM4EKMT2ALMNAMEN1HTT
SCHEMBL1892934 0.79 KMT2A (0.64) KDM4EKMT2ALMNAMEN1HTT
SCHEMBL73449 0.79 KDM4E (0.69) KDM4EKMT2ALMNAMEN1HTT
SCHEMBL7114649 0.79 LMNA (0.69) KDM4EKMT2ALMNAMEN1HTT
SCHEMBL14157583 0.79 KMT2A (0.69) KDM4EKMT2ALMNAMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022165185-A9 CANCER-SELECTIVE TARGET DEGRADATION BY TARGETING GROUP CAGED PROTACS BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2022-12-01 WO disclosed
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-2012168657-A1 PROCESS FOR SYNTHESIS AND CRYSTALLINE FORM OF 4-{3-[CIS-HEXAHYDROCYCLOPENTA[C]PYRROL-2(1H)-YL]PROPOXY}BENZAMIDE HYDROCHLORIDE, IN ADDITION TO THE ASSOCIATED FREE BASE AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2012-12-13 WO disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed