SCHEMBL29566244

SCHEMBL29566244

COc1ccccc1Cn1c(=O)oc2ccc(O)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 8/20 1.00
CD74 P04233 4/20 0.76
TSHR P16473 6/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
LMNA P02545 2/20 0.60
HPGD P15428 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
USP2 O75604 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALDH1A1 P00352 4/20 0.57
MAPK1 P28482 2/20 0.57
HTT P42858 2/20 0.56
ATM Q13315 1/20 0.54
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.49

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
SCHEMBL3266381 1.00 MIF (1.00) MIFCD74TSHRL3MBTL1LMNA
SCHEMBL18805693 0.90 MIF (0.82) MIFCD74TSHRL3MBTL1LMNA
SCHEMBL18805683 0.90 MIF (1.00) MIFCD74TSHRL3MBTL1LMNA
SCHEMBL10089276 0.86 MIF (0.78) MIFCD74TSHRL3MBTL1LMNA
SCHEMBL17167058 0.86 MIF (1.00) MIFCD74TSHRL3MBTL1LMNA
SCHEMBL29565887 0.86 MIF (1.00) MIFCD74TSHRL3MBTL1LMNA
SCHEMBL2757854 0.82 MIF (0.70) MIFCD74TSHRL3MBTL1LMNA
SCHEMBL16554239 0.78 MIF (0.70) MIFCD74MAPT
SCHEMBL29566638 0.77 MIF (1.00) MIFCD74
SCHEMBL18805682 0.77 MIF (1.00) MIFCD74

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-4237002-A1 METHODS OF TREATING SPONDYLOARTHRITIS OR SYMPTOMS THEREOF University Health Network (CA) 2023-09-06 EP disclosed
WO-2022087719-A1 METHODS OF TREATING SPONDYLOARTHRITIS OR SYMPTOMS THEREOF UNIVERSITY HEALTH NETWORK (CA) 2022-05-05 WO disclosed