SCHEMBL29566285

SCHEMBL29566285

Cc1ccc2oc(=O)n(Cc3cccc(O)c3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 11/20 1.00
▸ KMT2A Q03164 2/20 0.81
▸ MEN1 O00255 1/20 0.81
▸ POLB P06746 1/20 0.81
▸ CD74 P04233 5/20 0.74
▸ LMNA P02545 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ HTT P42858 2/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ IDO1 P14902 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.56

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
SCHEMBL2757836 1.00 MIF (1.00) MIFKMT2AMEN1POLBCD74
SCHEMBL2757837 0.90 MIF (1.00) MIFKMT2AMEN1POLBCD74
SCHEMBL18805704 0.89 MIF (0.81) MIFKMT2AMEN1POLBCD74
SCHEMBL18805703 0.86 MIF (1.00) MIFKMT2AMEN1POLBCD74
SCHEMBL18805676 0.85 KMT2A (0.76) MIFKMT2AMEN1POLBCD74
SCHEMBL10874258 0.85 MIF (1.00) MIFKMT2AMEN1POLBCD74
SCHEMBL13086455 0.85 MIF (1.00) MIFKMT2AMEN1POLBCD74
SCHEMBL2757838 0.85 IDO1 (0.81) MIFKMT2AMEN1POLBCD74
SCHEMBL13086565 0.85 KMT2A (0.81) MIFKMT2AMEN1POLBCD74
SCHEMBL18805692 0.85 IDO1 (0.81) MIFKMT2AMEN1POLBCD74

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
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