SCHEMBL4081668

SCHEMBL4081668

CCCCOc1ccc2cnc(C(=O)NCC(=O)O)c(O)c2c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 11/20 0.59
EGLN2 Q96KS0 2/20 0.58
THRA P10827 8/20 0.52
THRB P10828 8/20 0.52
FTO Q9C0B1 3/20 0.50
BBOX1 O75936 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
ASPH Q12797 1/20 0.50
KDM8 Q8N371 1/20 0.50
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
SCHEMBL523399 0.91 EGLN1 (0.71) EGLN1EGLN2THRATHRB
SCHEMBL8146957 0.89 EGLN1 (0.69) EGLN1EGLN2THRATHRB
SCHEMBL8141355 0.87 EGLN1 (0.71) EGLN1EGLN2THRATHRB
SCHEMBL4075055 0.85 EGLN2 (0.52) EGLN1EGLN2THRATHRB
SCHEMBL8141668 0.85 EGLN2 (0.48) EGLN2
SCHEMBL522745 0.83 THRA (0.70) EGLN1THRATHRBFTOBBOX1
SCHEMBL522111 0.83 EGLN1 (0.70) EGLN1EGLN2THRATHRBFTO
SCHEMBL523304 0.83 EGLN1 (0.83) EGLN1EGLN2THRATHRBFTO
SCHEMBL522431 0.83 THRA (0.64) EGLN1THRATHRBFTOBBOX1
SCHEMBL522921 0.83 THRA (0.70) EGLN1THRATHRBFTOBBOX1

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