SCHEMBL22153165

SCHEMBL22153165

O=C(O)[C@H](CCCCN1C(=O)C=C(Br)C1=O)N1C(=O)C=C(Br)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 1/20 0.39
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
NFKB1 P19838 1/20 0.34
APEX1 P27695 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC7 Q8WUI4 4/20 0.34
PTGS1 P23219 4/20 0.32
PTGS2 P35354 4/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL22153133 0.91 RGS4 (0.38) RGS4ALDH1A1KDM4ETP53GLA
SCHEMBL22153155 0.91 PTGS1 (0.43) RGS4ALDH1A1KDM4ETP53GLA
SCHEMBL22153132 0.82 KDM4E (0.32) ALDH1A1KDM4ETP53GLAPOLB
SCHEMBL22152325 0.81 RGS4 (0.44) RGS4ALDH1A1KDM4ETP53GLA
SCHEMBL8887852 0.81 ALDH1A1 (0.34) ALDH1A1KDM4ETP53GLAPOLB
SCHEMBL29333225 0.80 KDM4E (0.30) ALDH1A1KDM4ETP53GLAPOLB
SCHEMBL15433041 0.75 PTGS1 (0.57) RGS4ALDH1A1KDM4EHSD17B10HDAC1
SCHEMBL22153166 0.74 HPGD (0.37) ALDH1A1KDM4ETP53GLAPOLB
SCHEMBL22153148 0.74 HPGD (0.37) ALDH1A1KDM4ETP53GLAPOLB
SCHEMBL4852749 0.74 PTGS1 (0.60) RGS4KDM4ENFKB1HSD17B10HDAC1

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-3868409-B1 THIOPHENOL-MALEIMIDE AND BROM-MALEIMIDE DERIVATIVES AS LINKER FOR ANTIBODY-DRUG CONJUGATES (ADC) FOR TREATING TUMORS REMEGEN CO LTD (CN) 2024-07-17 EP disclosed
WO-2020125546-A1 CONNECTOR FOR USE IN ANTIBODY MEDICAMENT CONJUGATE AND APPLICATIONS OF CONNECTOR 荣昌生物制药(烟台)有限公司 2020-06-25 WO disclosed