SCHEMBL25343847

SCHEMBL25343847

COC(=O)c1cc(Cl)nc(Cl)c1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
ABL1 P00519 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 1/20 0.40
ACHE P22303 1/20 0.40
NQO2 P16083 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TUBB4A P04350 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
SCHEMBL1710208 0.84 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1MAPK1CYP3A4
SCHEMBL30430258 0.84 ALDH1A1 (0.50) KDM4ESMN1; SMN2ALDH1A1MAPK1CYP3A4
SCHEMBL1085042 0.84 ALDH1A1 (0.50) KDM4ESMN1; SMN2ALDH1A1MAPK1CYP3A4
SCHEMBL8606526 0.82 KDM4E (0.54) KDM4ESMN1; SMN2ALDH1A1ABL1NQO2
SCHEMBL29592465 0.82 KDM4E (0.54) KDM4ESMN1; SMN2ALDH1A1ABL1NQO2
SCHEMBL12701205 0.82 KDM4E (0.54) KDM4ESMN1; SMN2ALDH1A1ABL1NQO2
SCHEMBL14660349 0.81 ALDH1A1 (0.43) KDM4ESMN1; SMN2ALDH1A1MAPK1CYP3A4
SCHEMBL21349700 0.81 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1ABL1NQO2
SCHEMBL19991019 0.81 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1MAPK1CYP3A4
SCHEMBL110643 0.81 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1ABL1ACHE

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-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO disclosed