SCHEMBL20600282

SCHEMBL20600282

COc1cc(C(=O)OC(=O)c2c(I)c(N)c(I)c(C(=O)O)c2I)c(N)c(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.57
POLB P06746 4/20 0.57
PKM P14618 2/20 0.41
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 3/20 0.34
TPMT P51580 1/20 0.34
PTPN1 P18031 1/20 0.34
HPGD P15428 3/20 0.33
LMNA P02545 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
ABL1 P00519 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32
RIN1 Q13671 1/20 0.32

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
SCHEMBL20600281 0.89 KDM4E (0.56) KDM4EPOLBPKMHSD17B10USP2
SCHEMBL2034454 0.75 KDM4E (0.72) KDM4EPOLBPKMHSD17B10USP2
SCHEMBL4734795 0.74 KDM4E (1.00) KDM4EPOLBPKMHSD17B10USP2
SCHEMBL25415240 0.71 KDM4E (0.53) KDM4EPOLBPKMHSD17B10ALDH1A1
SCHEMBL23489012 0.71 KDM4E (0.66) KDM4EPOLBPKMHSD17B10USP2
SCHEMBL28367230 0.70 CA12 (0.35) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL29557419 0.70 CA12 (0.35) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL30498915 0.69 KDM4E (0.72) KDM4EPOLBPKMHSD17B10USP2
SCHEMBL29025566 0.69 PKM (0.57) KDM4EPOLBPKMHSD17B10USP2
SCHEMBL28594907 0.69 KDM4E (0.72) KDM4EPOLBPKMHSD17B10USP2

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
US-20210079444-A1 LABEL FREE DETECTION OF PROTEASE ACTIVITY VIB VZW (BE) 2021-03-18 US disclosed
EP-3645453-A1 LABEL FREE DETECTION OF PROTEASE ACTIVITY Universiteit Gent (BE) 2020-05-06 EP disclosed
WO-2019002401-A1 LABEL FREE DETECTION OF PROTEASE ACTIVITY VIB VZW (BE) 2019-01-03 WO disclosed