SCHEMBL4077943

SCHEMBL4077943

O=C(O)c1ncc2c(Cl)cccc2c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 9/20 0.50
HAVCR2 Q8TDQ0 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
CDK9 P50750 2/20 0.40
DYRK1A Q13627 2/20 0.40
CLK1 P49759 1/20 0.40
CDK5 Q00535 1/20 0.40
DYRK2 Q92630 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
KMO O15229 1/20 0.40
BBOX1 O75936 3/20 0.39

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
SCHEMBL23580382 0.81 NR4A2 (0.43) EGLN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL522880 0.80 EGLN1 (0.73) EGLN1BBOX1FTO
SCHEMBL4077946 0.76 HAVCR2 (0.38) EGLN1HAVCR2KMT2AMEN1KDM4E
SCHEMBL4077902 0.76 CA12 (0.46) EGLN1KMT2AMEN1KDM4EALDH1A1
SCHEMBL4070970 0.74 EGLN1 (0.57) EGLN1PKMBBOX1FTOSMN1; SMN2
SCHEMBL8150746 0.74 LDHA (0.50) EGLN1KMT2AMEN1KDM4EALDH1A1
SCHEMBL754068 0.72 CYP1A2 (0.46) EGLN1HAVCR2KMT2AMEN1KDM4E
Water SCHEMBL2493601 0.72 HAVCR2 (0.43) EGLN1HAVCR2KMT2AMEN1KDM4E
SCHEMBL754063 0.72 ATM (0.46) EGLN1HAVCR2KMT2AMEN1KDM4E
SCHEMBL10583391 0.70 KDM4E (0.66) HAVCR2KMT2AMEN1KDM4EALDH1A1

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 7 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
CN-1117079-C Substituted isoquinoline-3-formamides compounds, its preparing method and its use as medicine FIBRE GENE INC (US) 2003-08-06 CN 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
CN-1218802-A Substituted isoquinoline-3-formamides compounds, its preparing method and its use as medicine HOECHST MARION ROUSSEL CO LTD (DE) 1999-06-09 CN disclosed
EP-0911340-A2 Substituted Isoquinolin-3-Carboxyamides, their preparation and medical use Hoechst Marion Roussel Deutschland GmbH (DE) 1999-04-28 EP disclosed