SCHEMBL4070068

SCHEMBL4070068

CCCCOC(=O)Oc1[nH]c(=O)c2cc(OC)ccc2c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.42
MTNR1A P48039 8/20 0.42
MTNR1B P49286 8/20 0.42
PARP15 Q460N3 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
GHSR Q92847 1/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
SERPINE1 P05121 1/20 0.39
DRD3 P35462 1/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTSL P07711 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
SCHEMBL4071315 0.95 PARP15 (0.43) ELANEMTNR1AMTNR1BPARP15PARP14
SCHEMBL4079118 0.92 ALDH1A1 (0.42) ELANEMTNR1APARP15PARP10TNKS2
SCHEMBL6226036 0.89 PARP15 (0.42) ELANEPARP15PARP10TNKS2PARP2
SCHEMBL4070289 0.84 PARP15 (0.45) ELANEPARP15PARP10TNKS2PARP2
SCHEMBL4078619 0.84 TNKS2 (0.47) TNKS2PARP2KDM4EALDH1A1HSD17B10
SCHEMBL4080433 0.80 TNKS2 (0.49) TNKS2PARP2KDM4EALDH1A1HSD17B10
SCHEMBL4073647 0.74 MAPT (0.40) ELANEMTNR1AMTNR1BKDM4EMAPT
SCHEMBL523585 0.73 ALDH1A1 (0.54) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL4073822 0.72 MAPT (0.40) ELANEMTNR1AMTNR1BKDM4EMAPT
SCHEMBL9657101 0.71 ELANE (0.42) ELANEMTNR1AMTNR1BKDM4EALDH1A1

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