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SCHEMBL4758056

SCHEMBL4758056

O=C(O)CNC(=O)c1nc(Cl)c2ccc(Oc3ccc(F)cc3)cc2c1O.O=C(O)CNC(=O)c1ncc2cc(Oc3ccc(F)cc3)ccc2c1O.O=C(O)CNC(=O)c1ncc2ccc(Oc3ccc(F)cc3)cc2c1O

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 15/20 0.68
▸ THRA P10827 4/20 0.63
▸ THRB P10828 4/20 0.63
▸ EGLN2 Q96KS0 10/20 0.56
▸ BBOX1 O75936 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ ASPH Q12797 1/20 0.52
▸ KDM8 Q8N371 1/20 0.52
▸ FTO Q9C0B1 1/20 0.52

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
SCHEMBL5073118 0.97 EGLN1 (0.72) EGLN1THRATHRBEGLN2BBOX1
SCHEMBL5027659 0.94 EGLN1 (0.72) EGLN1THRATHRBEGLN2BBOX1
SCHEMBL4409409 0.94 EGLN1 (0.77) EGLN1THRATHRBEGLN2BBOX1
SCHEMBL5072579 0.90 EGLN1 (0.67) EGLN1THRATHRBEGLN2
SCHEMBL4757879 0.90 EGLN1 (0.72) EGLN1THRATHRBEGLN2
SCHEMBL522721 0.90 EGLN1 (0.84) EGLN1EGLN2
SCHEMBL523169 0.90 EGLN1 (0.70) EGLN1THRATHRBEGLN2BBOX1
SCHEMBL523170 0.90 EGLN1 (0.84) EGLN1EGLN2
SCHEMBL30274462 0.90 EGLN1 (0.84) EGLN1EGLN2
SCHEMBL523054 0.90 EGLN1 (0.70) EGLN1THRATHRBEGLN2BBOX1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009002533-A1 INFLAMMATORY BOWEL DISEASE THERAPIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2008-12-31 — — WO disclosed