SCHEMBL4073822

SCHEMBL4073822

CCCCOC(=O)Oc1nc(Cl)c2ccc(OC)cc2c1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SLC2A1 P11166 1/20 0.40
TSHR P16473 1/20 0.40
MTNR1A P48039 4/20 0.39
MTNR1B P49286 3/20 0.39
ELANE P08246 1/20 0.39
ESR1 P03372 1/20 0.39
PTGS2 P35354 5/20 0.39
PLA2G2A P14555 1/20 0.39
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
DHODH Q02127 1/20 0.36
KDM4E B2RXH2 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36

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
SCHEMBL4073647 0.96 MAPT (0.40) MAPTKMT2AMEN1SLC2A1TSHR
SCHEMBL4082612 0.92 ESR1 (0.40) MAPTKMT2AMEN1MTNR1AMTNR1B
SCHEMBL4078497 0.89 ESR1 (0.38) MAPTKMT2ASLC2A1MTNR1AELANE
SCHEMBL4078396 0.88 ESR1 (0.40) MAPTKMT2AMEN1MTNR1AMTNR1B
SCHEMBL4075828 0.85 ESR1 (0.38) MAPTKMT2ASLC2A1MTNR1AELANE
SCHEMBL4255377 0.85 L3MBTL1 (0.42) KMT2AMEN1TSHREGLN1
SCHEMBL4075081 0.81 DHODH (0.44) TSHRPLA2G2ADHODHKDM4EEGLN1
SCHEMBL4071784 0.81 EGLN1 (0.41) KMT2AMEN1TSHREGLN1
SCHEMBL4074682 0.81 DHODH (0.39) MAPTKMT2AMEN1TSHRMTNR1A
SCHEMBL523400 0.76 EGLN1 (0.50) MAPTSLC2A1ESR1PTGS2EGLN1

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