SCHEMBL29914868

SCHEMBL29914868

O=Cc1cc(Br)cc2c1OCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTPN1 P18031 1/20 0.33
AHR P35869 1/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 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
SCHEMBL22297792 1.00 ERN1 (0.40) ERN1KDM4ELMNAMAPTHTT
SCHEMBL6541735 0.85 LMNA (0.42) ERN1KDM4ELMNAMAPTBLM
SCHEMBL1748466 0.78 ERN1 (0.44) ERN1KDM4ELMNAMAPTMEN1
SCHEMBL30933917 0.78 ERN1 (0.44) ERN1KDM4ELMNAMAPTMEN1
Dimethylformamide SCHEMBL7991275 0.77 LMNA (0.40) ERN1KDM4ELMNAMAPTBLM
SCHEMBL1512811 0.76 PARP1 (0.39) ERN1MAPTNPSR1PTPN1
SCHEMBL30816184 0.74 ERN1 (0.37) ERN1MAPTNPSR1PTPN1
SCHEMBL4840402 0.74 ERN1 (0.37) ERN1MAPTNPSR1PTPN1
SCHEMBL1012582 0.72 KDM4E (0.61) ERN1KDM4ELMNAHTTBLM
SCHEMBL17397861 0.72 KDM4E (0.40) ERN1KDM4ELMNAMAPTHTT

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-4330246-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) Ontario Institute for Cancer Research (OICR) (CA) 2024-03-06 EP disclosed
WO-2022226665-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed