SCHEMBL4069666

SCHEMBL4069666

COc1ccc2c(O)c(C(=O)O)nc(Cl)c2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 6/20 0.52
THRA P10827 4/20 0.52
THRB P10828 4/20 0.52
DHODH Q02127 1/20 0.49
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CDK9 P50750 2/20 0.46
DYRK1A Q13627 2/20 0.46
DYRK2 Q92630 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
LMNA P02545 1/20 0.43
PHLPP2 Q6ZVD8 2/20 0.42
ALPG P10696 1/20 0.41
BBOX1 O75936 3/20 0.41
FTO Q9C0B1 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
SCHEMBL4075079 0.94 DHODH (0.49) EGLN1THRATHRBDHODHKDM4E
SCHEMBL523239 0.86 EGLN1 (0.50) EGLN1THRATHRBKDM4EALDH1A1
SCHEMBL31028941 0.83 THRA (0.76) EGLN1THRATHRBBBOX1FTO
SCHEMBL523344 0.83 THRA (0.76) EGLN1THRATHRBBBOX1FTO
SCHEMBL8139266 0.83 THRA (0.50) EGLN1THRATHRBDHODHKDM4E
SCHEMBL8134005 0.83 THRA (0.50) EGLN1THRATHRBDHODHKDM4E
SCHEMBL522422 0.81 EGLN1 (0.45) EGLN1THRATHRBKDM4EALDH1A1
SCHEMBL4069669 0.81 DHODH (0.44) EGLN1THRATHRBDHODHKDM4E
SCHEMBL8134048 0.80 THRA (0.58) EGLN1THRATHRBBBOX1FTO
SCHEMBL522615 0.79 EGLN1 (0.55) EGLN1THRATHRBKDM4EALDH1A1

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