SCHEMBL6209545

SCHEMBL6209545

O[C@H](Cc1ccccc1)c1cc2cc(Br)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 3/20 0.50
▸ CYP19A1 P11511 1/20 0.50
▸ IDO1 P14902 9/20 0.48
▸ CNR1 P21554 1/20 0.41
▸ FFAR1 O14842 1/20 0.40
▸ BCAT1 P54687 1/20 0.40
▸ F2 P00734 2/20 0.39

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
SCHEMBL22529420 0.77 CYP19A1 (0.46) PYGLCYP19A1IDO1CNR1F2
SCHEMBL28394959 0.76 CYP19A1 (0.54) PYGLCYP19A1IDO1CNR1BCAT1
SCHEMBL28178529 0.76 F2 (0.58) PYGLCYP19A1IDO1CNR1F2
SCHEMBL22547173 0.76 CNR1 (0.46) PYGLCYP19A1IDO1CNR1BCAT1
SCHEMBL22529409 0.74 CYP19A1 (0.43) PYGLCYP19A1IDO1CNR1
SCHEMBL6341106 0.72 PYGL (0.80) PYGL
SCHEMBL6345713 0.72 PYGL (0.65) PYGLBCAT1
SCHEMBL24076508 0.72 CYP19A1 (0.47) CYP19A1IDO1
SCHEMBL4270694 0.72 SLC6A2 (0.46) IDO1F2
SCHEMBL28692973 0.70 LOXL2 (0.52) PYGLIDO1

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-1569639-A2 SUBSTITUTED DIHYDROPYRANO INDOLE-3,4-DIONE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2005-09-07 — — EP disclosed
WO-2004052893-A2 SUBSTITUTED DIHYDROPYRANO INDOLE-3,4-DIONE DERIVATIVES AND 3-OXOACETIC ACID SUBSTITUTED 2-HYDROXYMETHYLINDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2004-06-24 — — WO disclosed
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