SCHEMBL4070358

SCHEMBL4070358

CCCCCOC(=O)CNC(=O)c1nc(Cl)c2cc(OCc3ccccc3)ccc2c1O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 15/20 0.56
THRB P10828 15/20 0.56
EGLN1 Q9GZT9 8/20 0.56
EGLN2 Q96KS0 3/20 0.52
BBOX1 O75936 2/20 0.48
FTO Q9C0B1 2/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ASPH Q12797 1/20 0.47
KDM8 Q8N371 1/20 0.47

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
SCHEMBL4075898 0.91 THRA (0.55) THRATHRBEGLN1EGLN2BBOX1
SCHEMBL4071786 0.90 THRA (0.59) THRATHRBEGLN1BBOX1FTO
SCHEMBL522875 0.88 THRA (0.64) THRATHRBEGLN1EGLN2BBOX1
SCHEMBL31028948 0.88 THRA (0.64) THRATHRBEGLN1EGLN2BBOX1
SCHEMBL4081493 0.87 THRA (0.56) THRATHRBEGLN1EGLN2BBOX1
SCHEMBL4072768 0.87 THRA (0.55) THRATHRBEGLN1BBOX1FTO
SCHEMBL30004356 0.85 THRA (0.75) THRATHRBEGLN1EGLN2BBOX1
SCHEMBL1509116 0.85 THRA (0.75) THRATHRBEGLN1EGLN2BBOX1
SCHEMBL4074809 0.85 THRA (0.53) THRATHRBEGLN1BBOX1FTO
SCHEMBL27419341 0.85 EGLN1 (0.47) THRATHRBEGLN1EGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1538160-B1 Substituted Isoquinolin-3-carboxyamides, their preparation and medical use FIBROGEN INC (US) 2009-06-03 EP disclosed
EP-0911340-B1 Substituted Isoquinolin-3-Carboxyamides, their preparation and medical use FIBROGEN INC (US) 2005-07-06 EP disclosed
EP-1538160-A1 Substituted Isoquinolin-3-carboxyamides, their preparation and medical use FIBROGEN, INC. (US) 2005-06-08 EP disclosed
US-6093730-A AN ENZYME INHIBITORS OF PROLYL-4-HYDROXYLASE FOR TREATING FIBROTIC DISORDERS AND INHIBITING COLLAGEN BIOSYNTHESIS HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 2000-07-25 US disclosed
EP-0911340-A2 Substituted Isoquinolin-3-Carboxyamides, their preparation and medical use Hoechst Marion Roussel Deutschland GmbH (DE) 1999-04-28 EP disclosed