SCHEMBL29565887

SCHEMBL29565887

COc1ccccc1Cn1c(=O)oc2ccc(C)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 1.00
CD74 P04233 3/20 1.00
TSHR P16473 8/20 0.78
LMNA P02545 5/20 0.78
L3MBTL1 Q9Y468 3/20 0.78
SMN1; SMN2 Q16637 4/20 0.77
HPGD P15428 2/20 0.77
USP2 O75604 1/20 0.77
NPSR1 Q6W5P4 1/20 0.77
ALDH1A1 P00352 3/20 0.75
MAPK1 P28482 3/20 0.75
HTT P42858 5/20 0.73
KDM4E B2RXH2 1/20 0.60
POLB P06746 2/20 0.60
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
GAA P10253 1/20 0.59

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
SCHEMBL17167058 1.00 MIF (1.00) MIFCD74TSHRLMNAL3MBTL1
SCHEMBL18805700 0.89 MIF (1.00) MIFCD74TSHRLMNAL3MBTL1
SCHEMBL18805684 0.88 TSHR (1.00) MIFCD74TSHRLMNAL3MBTL1
SCHEMBL10089276 0.88 MIF (0.78) MIFCD74TSHRLMNAL3MBTL1
SCHEMBL29566244 0.86 MIF (1.00) MIFCD74TSHRLMNAL3MBTL1
SCHEMBL3266381 0.86 MIF (1.00) MIFCD74TSHRLMNAL3MBTL1
SCHEMBL17156117 0.85 MIF (0.74) MIFCD74TSHRLMNAL3MBTL1
SCHEMBL18805698 0.85 TSHR (0.78) MIFCD74TSHRLMNAL3MBTL1
SCHEMBL18805693 0.79 MIF (0.82) MIFCD74TSHRLMNAL3MBTL1
SCHEMBL10874258 0.79 MIF (1.00) MIFCD74TSHRLMNASMN1; SMN2

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