SCHEMBL4075898

SCHEMBL4075898

CCCCOc1ccc2c(Cl)nc(C(=O)NCC(=O)OCc3ccccc3)c(O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 13/20 0.55
THRB P10828 13/20 0.55
EGLN1 Q9GZT9 8/20 0.55
BBOX1 O75936 2/20 0.51
FTO Q9C0B1 2/20 0.51
EGLN2 Q96KS0 2/20 0.49
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ASPH Q12797 1/20 0.47
KDM8 Q8N371 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4070358 0.91 THRA (0.56) THRATHRBEGLN1BBOX1FTO
SCHEMBL4081493 0.90 THRA (0.56) THRATHRBEGLN1BBOX1FTO
SCHEMBL4071786 0.88 THRA (0.59) THRATHRBEGLN1BBOX1FTO
SCHEMBL4075055 0.86 EGLN2 (0.52) THRATHRBEGLN1EGLN2KMT2A
SCHEMBL30004549 0.85 THRA (0.69) THRATHRBEGLN1BBOX1FTO
SCHEMBL1508977 0.85 THRA (0.69) THRATHRBEGLN1BBOX1FTO
SCHEMBL4080194 0.84 EGLN1 (0.51) THRATHRBEGLN1BBOX1FTO
SCHEMBL522745 0.83 THRA (0.70) THRATHRBEGLN1BBOX1FTO
SCHEMBL522867 0.83 THRA (0.64) THRATHRBEGLN1BBOX1FTO
SCHEMBL522875 0.83 THRA (0.64) THRATHRBEGLN1BBOX1FTO

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