SCHEMBL4076740

SCHEMBL4076740

O=C(O)CNC(=O)Oc1cc2ccccc2cn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 10/20 0.44
EGLN3 Q9H6Z9 2/20 0.43
FTO Q9C0B1 1/20 0.43
PTPN7 P35236 1/20 0.42
KDM4C Q9H3R0 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL4078393 0.83 ALDH1A1 (0.44) MEN1KMT2AKDM4EALDH1A1
SCHEMBL7175076 0.78 CYP1A2 (0.42) EGLN1PTPN7MEN1KMT2AKDM4E
Water SCHEMBL6036774 0.77 CYP1A2 (0.41) EGLN1PTPN7MEN1KMT2AKDM4E
SCHEMBL8779339 0.76 EGLN2 (0.45) EGLN1FTOMEN1KMT2AEPHX1
SCHEMBL6567209 0.75 KDM4C (0.58) EGLN1KDM4CMEN1KMT2AKDM4E
SCHEMBL1208104 0.75 EGLN1 (0.62) EGLN1EGLN3FTOKDM4C
SCHEMBL1833771 0.74 HSD17B10 (0.58) ALDH1A1EPHX1
SCHEMBL13284331 0.74 EGLN1 (0.53) EGLN1EGLN3FTOPTPN7KDM4C
SCHEMBL30636265 0.73 PLAU (0.46) EGLN1PTPN7MEN1KMT2AKDM4E
SCHEMBL4073461 0.73 PLAU (0.46) EGLN1PTPN7MEN1KMT2AKDM4E

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