SCHEMBL4078441

SCHEMBL4078441

CCCCOC(=O)CNC(=O)c1nc(Cl)c2cc(Cl)c(Cl)cc2c1O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 7/20 0.48
THRA P10827 7/20 0.48
THRB P10828 7/20 0.48
BBOX1 O75936 2/20 0.46
FTO Q9C0B1 2/20 0.46
ESR1 P03372 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ASPH Q12797 1/20 0.39
KDM8 Q8N371 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL4071786 0.88 THRA (0.59) EGLN1THRATHRBBBOX1FTO
SCHEMBL4080194 0.85 EGLN1 (0.51) EGLN1THRATHRBBBOX1FTO
SCHEMBL4072768 0.85 THRA (0.55) EGLN1THRATHRBBBOX1FTO
SCHEMBL4075048 0.83 THRA (0.48) EGLN1THRATHRBBBOX1FTO
SCHEMBL4074809 0.83 THRA (0.53) EGLN1THRATHRBBBOX1FTO
SCHEMBL4075898 0.80 THRA (0.55) EGLN1THRATHRBBBOX1FTO
SCHEMBL4070358 0.80 THRA (0.56) EGLN1THRATHRBBBOX1FTO
SCHEMBL4073242 0.79 EGLN1 (0.70) EGLN1THRATHRBBBOX1FTO
SCHEMBL522745 0.79 THRA (0.70) EGLN1THRATHRBBBOX1FTO
SCHEMBL522867 0.75 THRA (0.64) EGLN1THRATHRBBBOX1FTO

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