SCHEMBL4074809

SCHEMBL4074809

CCCCCOC(=O)CNC(=O)c1nc(Cl)c2cc(OC(C)C)ccc2c1O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 14/20 0.53
THRB P10828 14/20 0.53
EGLN1 Q9GZT9 9/20 0.53
BBOX1 O75936 2/20 0.44
FTO Q9C0B1 2/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ASPH Q12797 1/20 0.43
KDM8 Q8N371 1/20 0.43

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
SCHEMBL4075048 0.96 THRA (0.48) THRATHRBEGLN1BBOX1FTO
SCHEMBL4072768 0.91 THRA (0.55) THRATHRBEGLN1BBOX1FTO
SCHEMBL4071786 0.90 THRA (0.59) THRATHRBEGLN1BBOX1FTO
SCHEMBL4080194 0.87 EGLN1 (0.51) THRATHRBEGLN1BBOX1FTO
SCHEMBL4070358 0.85 THRA (0.56) THRATHRBEGLN1BBOX1FTO
SCHEMBL522268 0.84 THRA (0.72) THRATHRBEGLN1BBOX1FTO
SCHEMBL4078441 0.83 EGLN1 (0.48) THRATHRBEGLN1BBOX1FTO
SCHEMBL523590 0.83 ESR1 (0.44) THRATHRBEGLN1BBOX1FTO
SCHEMBL522745 0.82 THRA (0.70) THRATHRBEGLN1BBOX1FTO
SCHEMBL522220 0.80 EGLN1 (0.55) THRATHRBEGLN1BBOX1FTO

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 2 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
US-6093730-A AN ENZYME INHIBITORS OF PROLYL-4-HYDROXYLASE FOR TREATING FIBROTIC DISORDERS AND INHIBITING COLLAGEN BIOSYNTHESIS HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 2000-07-25 US disclosed