SCHEMBL4069669

SCHEMBL4069669

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.44
THRA P10827 4/20 0.42
THRB P10828 4/20 0.42
EGLN1 Q9GZT9 3/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PHLPP2 Q6ZVD8 2/20 0.38
F2 P00734 1/20 0.38
GLA P06280 1/20 0.38
LMNA P02545 1/20 0.38
ALPG P10696 1/20 0.38
PRNP P04156 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
PPARG P37231 1/20 0.37
HTT P42858 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL4075081 0.95 DHODH (0.44) DHODHTHRATHRBEGLN1KDM4E
SCHEMBL4078616 0.87 EGLN1 (0.41) THRATHRBEGLN1KDM4EALDH1A1
SCHEMBL4076022 0.84 THRA (0.41) DHODHTHRATHRBEGLN1KDM4E
SCHEMBL4078672 0.82 ALDH1A1 (0.39) THRATHRBEGLN1KDM4EALDH1A1
SCHEMBL4074699 0.81 SMN1; SMN2 (0.43) THRATHRBEGLN1
SCHEMBL4073647 0.81 MAPT (0.40) DHODHTHRATHRBEGLN1KDM4E
SCHEMBL4069666 0.81 EGLN1 (0.52) DHODHTHRATHRBEGLN1KDM4E
SCHEMBL4079700 0.80 EGLN1 (0.45) THRATHRBEGLN1KDM4EALDH1A1
SCHEMBL4074682 0.79 DHODH (0.39) DHODHALDH1A1TSHRHTT
SCHEMBL4073465 0.78 EGLN1 (0.49) THRATHRBEGLN1KDM4EALDH1A1

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 4 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
EP-0911340-A2 Substituted Isoquinolin-3-Carboxyamides, their preparation and medical use Hoechst Marion Roussel Deutschland GmbH (DE) 1999-04-28 EP disclosed