SCHEMBL29566444

SCHEMBL29566444

CCc1ccc2oc(=O)n(Cc3cccc(OC)c3)c2c1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MIF P14174 8/20 0.77
CD74 P04233 5/20 0.75
POLB P06746 2/20 0.74
TNIK Q9UKE5 5/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 2/20 0.55
TSHR P16473 2/20 0.55
HTT P42858 2/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
IDO1 P14902 1/20 0.54
CBX7 O95931 1/20 0.53
CDYL2 Q8N8U2 1/20 0.53
CDYL Q9Y232 1/20 0.53
CDY1; CDY1B Q9Y6F8 1/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL18805687 1.00 MIF (0.77) MIFCD74POLBTNIKMEN1
SCHEMBL244817 0.90 MIF (0.84) MIFCD74POLBTNIKMEN1
SCHEMBL29566319 0.90 MIF (0.84) MIFCD74POLBTNIKMEN1
SCHEMBL242399 0.89 MIF (0.77) MIFCD74POLBTNIKMEN1
SCHEMBL2757851 0.87 MIF (1.00) MIFCD74POLBTNIKMEN1
SCHEMBL29567415 0.86 MIF (0.77) MIFCD74POLBTNIKMEN1
SCHEMBL18805688 0.86 MIF (0.77) MIFCD74POLBTNIKMEN1
SCHEMBL18805682 0.86 MIF (1.00) MIFCD74POLBTNIKMEN1
SCHEMBL29566638 0.86 MIF (1.00) MIFCD74POLBTNIKMEN1
SCHEMBL243322 0.84 MIF (0.73) 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