SCHEMBL4080194

SCHEMBL4080194

CCCCCOC(=O)CNC(=O)c1nc(Cl)c2ccc(OC)cc2c1O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 8/20 0.51
THRA P10827 12/20 0.50
THRB P10828 12/20 0.50
BBOX1 O75936 2/20 0.46
FTO Q9C0B1 2/20 0.46
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ASPH Q12797 1/20 0.43
KDM8 Q8N371 1/20 0.43
PTGS2 P35354 2/20 0.41

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
SCHEMBL4072768 0.96 THRA (0.55) EGLN1THRATHRBBBOX1FTO
SCHEMBL4075048 0.91 THRA (0.48) EGLN1THRATHRBBBOX1FTO
SCHEMBL4071786 0.88 THRA (0.59) EGLN1THRATHRBBBOX1FTO
SCHEMBL4074809 0.87 THRA (0.53) EGLN1THRATHRBBBOX1FTO
SCHEMBL4078441 0.85 EGLN1 (0.48) EGLN1THRATHRBBBOX1FTO
SCHEMBL4075898 0.84 THRA (0.55) EGLN1THRATHRBBBOX1FTO
SCHEMBL523221 0.83 EGLN1 (0.69) EGLN1THRATHRBBBOX1FTO
SCHEMBL4070358 0.83 THRA (0.56) EGLN1THRATHRBBBOX1FTO
SCHEMBL522745 0.80 THRA (0.70) EGLN1THRATHRBBBOX1FTO
SCHEMBL522867 0.80 THRA (0.64) EGLN1THRATHRBBBOX1FTO

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