SCHEMBL4079700

SCHEMBL4079700

O=C(O)Oc1nc(Cl)c2cc(OCc3ccccc3)ccc2c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
EGLN2 Q96KS0 2/20 0.45
MAOB P27338 2/20 0.44
P2RY14 Q15391 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
MDH2 P40926 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX5 P09917 1/20 0.43
MAOA P21397 1/20 0.42
CYP1A2 P05177 2/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL4071751 0.95 MAOB (0.44) EGLN1EGLN2MAOBP2RY14ALDH1A1
SCHEMBL4071784 0.85 EGLN1 (0.41) EGLN1THRATHRBEGLN2MAOB
SCHEMBL522615 0.83 EGLN1 (0.55) EGLN1THRATHRBEGLN2MAOB
SCHEMBL4076022 0.82 THRA (0.41) EGLN1THRATHRBALDH1A1SMN1; SMN2
SCHEMBL4255377 0.80 L3MBTL1 (0.42) EGLN1EGLN2MAOBP2RY14ALDH1A1
SCHEMBL4069669 0.80 DHODH (0.44) EGLN1THRATHRBALDH1A1HPGD
SCHEMBL522871 0.79 EGLN1 (0.49) EGLN1THRATHRBEGLN2MAOB
SCHEMBL4078616 0.78 EGLN1 (0.41) EGLN1THRATHRBALDH1A1HPGD
SCHEMBL4073465 0.78 EGLN1 (0.49) EGLN1THRATHRBALDH1A1HPGD
SCHEMBL1509116 0.78 THRA (0.75) EGLN1THRATHRBEGLN2SLC6A2

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