SCHEMBL4070258

SCHEMBL4070258

COc1cccc2c(O)c(C(=O)NCC(=O)O)ncc12

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 18/20 0.68
BBOX1 O75936 1/20 0.53
FTO Q9C0B1 1/20 0.53
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49
EGLN3 Q9H6Z9 1/20 0.48

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
SCHEMBL2231048 0.87 EGLN1 (0.58) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1219109 0.86 EGLN1 (0.65) EGLN1BBOX1FTOTHRATHRB
SCHEMBL14649383 0.84 EGLN1 (0.73) EGLN1BBOX1FTOTHRATHRB
SCHEMBL3782810 0.83 EGLN1 (0.61) EGLN1BBOX1FTOTHRATHRB
SCHEMBL4077902 0.82 CA12 (0.46) EGLN1
SCHEMBL522880 0.81 EGLN1 (0.73) EGLN1BBOX1FTOTHRATHRB
SCHEMBL523711 0.79 EGLN1 (0.70) EGLN1BBOX1FTOEGLN3
SCHEMBL30274432 0.79 EGLN1 (0.70) EGLN1BBOX1FTOEGLN3
SCHEMBL522514 0.79 THRB (0.64) EGLN1BBOX1FTOTHRATHRB
SCHEMBL31501044 0.77 EGLN1 (0.68) EGLN1BBOX1FTOEGLN3

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