SCHEMBL4079442

SCHEMBL4079442

O=C(O)Oc1nc(Cl)c2cc(Cl)c(Cl)cc2c1O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.32
EGLN1 Q9GZT9 2/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
BBOX1 O75936 1/20 0.31
FTO Q9C0B1 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
AKR1C4 P17516 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30

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
SCHEMBL4074734 0.83 SLC6A3 (0.33) EGLN1THRATHRBBBOX1FTO
SCHEMBL4073465 0.80 EGLN1 (0.49) EGLN1THRATHRBBBOX1FTO
SCHEMBL4069669 0.78 DHODH (0.44) EGLN1THRATHRBKDM4EALDH1A1
SCHEMBL4075081 0.78 DHODH (0.44) EGLN1THRATHRBKDM4EALDH1A1
SCHEMBL4078672 0.76 ALDH1A1 (0.39) EGLN1THRATHRBBBOX1FTO
SCHEMBL4078616 0.76 EGLN1 (0.41) EGLN1THRATHRBBBOX1FTO
SCHEMBL4079439 0.74 KMO (0.43) TTREGLN1THRATHRBBBOX1
SCHEMBL4076022 0.73 THRA (0.41) EGLN1THRATHRBKDM4EMEN1
SCHEMBL4074682 0.73 DHODH (0.39) MEN1ALDH1A1MAPTHTTKMT2A
SCHEMBL10999122 0.73 TDP1 (0.47) MEN1ALDH1A1MAPTKMT2AHSD17B10

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