SCHEMBL8291273

SCHEMBL8291273

CCOC(=O)c1cc(Br)ccc1-c1ccc(/C=C2\C(=O)N=C(O)C(N)=C2C)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
KDM4E B2RXH2 5/20 0.49
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
POLB P06746 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 5/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TBK1 Q9UHD2 1/20 0.41
BRAF P15056 1/20 0.40
MCL1 Q07820 2/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 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
SCHEMBL14583840 0.87 MEN1 (0.49) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL8291979 0.78 KDM4E (0.50) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL14584172 0.75 KDM4E (0.47) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL8290357 0.68 ALDH1A1 (0.73) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL39978 0.63 MEN1 (0.53) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL31189997 0.63 ALDH1A1 (0.60) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL1187777 0.63 ALDH1A1 (0.60) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL288615 0.63 ALDH1A1 (0.55) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL29571295 0.63 ALDH1A1 (0.55) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL2222022 0.62 KDM4E (0.59) KDM4EMAPTALDH1A1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005037257-A2 NOVEL ALANYL-AMINO PEPTIDASE INHIBITORS FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 WO disclosed