SCHEMBL8291979

SCHEMBL8291979

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
MEN1 O00255 9/20 0.50
KMT2A Q03164 9/20 0.50
MAPT P10636 8/20 0.50
ALDH1A1 P00352 8/20 0.50
POLB P06746 7/20 0.50
L3MBTL1 Q9Y468 5/20 0.50
HPGD P15428 3/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MCL1 Q07820 5/20 0.40
RECQL P46063 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
MAPK1 P28482 2/20 0.40
THRB P10828 1/20 0.40
APEX1 P27695 1/20 0.40
PLEC Q15149 1/20 0.40

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 0.92 MEN1 (0.49) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL14584172 0.86 KDM4E (0.47) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL8291273 0.78 MEN1 (0.49) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL8290357 0.73 ALDH1A1 (0.73) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL8290675 0.72 ALDH1A1 (0.59) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL14680194 0.72 CDC25B (0.62) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL14583824 0.71 ESR2 (0.55) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL8290359 0.70 MAPT (0.55) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL18195806 0.66 KDM4E (0.50) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL14680238 0.63 ESR2 (0.61) KDM4EMEN1KMT2AMAPTALDH1A1

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