SCHEMBL29566638

SCHEMBL29566638

COc1cccc(Cn2c(=O)oc3ccc(O)cc32)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MIF P14174 10/20 1.00
CD74 P04233 4/20 1.00
POLB P06746 2/20 0.74
TNIK Q9UKE5 5/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CBX7 O95931 1/20 0.56
CDYL2 Q8N8U2 1/20 0.56
CDYL Q9Y232 1/20 0.56
CDY1; CDY1B Q9Y6F8 1/20 0.56
IDO1 P14902 1/20 0.54

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
SCHEMBL18805682 1.00 MIF (1.00) MIFCD74POLBTNIKMEN1
SCHEMBL3270711 0.91 MIF (1.00) MIFCD74POLBTNIKMEN1
SCHEMBL29566319 0.90 MIF (0.84) MIFCD74POLBTNIKMEN1
SCHEMBL244817 0.90 MIF (0.84) MIFCD74POLBTNIKMEN1
SCHEMBL242399 0.87 MIF (0.77) MIFCD74POLBTNIKMEN1
SCHEMBL2757851 0.87 MIF (1.00) MIFCD74POLBTNIKMEN1
SCHEMBL18805704 0.86 MIF (0.81) MIFCD74POLBMEN1KMT2A
SCHEMBL29566444 0.86 MIF (0.77) MIFCD74POLBTNIKMEN1
SCHEMBL18805688 0.86 MIF (0.77) MIFCD74POLBTNIKMEN1
SCHEMBL29567415 0.86 MIF (0.77) MIFCD74POLBTNIKMEN1

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