SCHEMBL4077902

SCHEMBL4077902

COc1cccc2c(O)c(C(=O)O)ncc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
EGLN1 Q9GZT9 2/20 0.44
CDK9 P50750 1/20 0.44
DYRK1A Q13627 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL4070258 0.82 EGLN1 (0.68) EGLN1
SCHEMBL4077907 0.79 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL1656086 0.78 HTT (0.41) EGLN1KDM4EALDH1A1MAPTMEN1
SCHEMBL4077943 0.76 EGLN1 (0.50) EGLN1CDK9DYRK1AKDM4EALDH1A1
SCHEMBL6777433 0.76 TDO2 (0.48) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL1658690 0.75 EGLN1 (0.47) EGLN1KDM4EHSD17B10MEN1KMT2A
SCHEMBL753242 0.75 PLAU (0.52) CA12CA1CA2CA7CA9
SCHEMBL756470 0.74 ALOX15 (0.47) CA12CA1CA2CA7CA9
SCHEMBL1656353 0.74 ESR1 (0.42) CA1CA2EGLN1ALDH1A1MAPT
SCHEMBL8966935 0.73 CDC25B (0.56) CA12CA1CA2CA7CA9

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