SCHEMBL1031822

SCHEMBL1031822

O=C(O)O[C@@H]1CCCN1C(=O)c1nc(Cl)c2ccccc2c1O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 6/20 0.44
BBOX1 O75936 5/20 0.44
FTO Q9C0B1 4/20 0.44
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 1/20 0.36
MAPT P10636 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL1032206 1.00 EGLN1 (0.44) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1030669 0.83 EGLN1 (0.36) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1028657 0.83 EGLN1 (0.36) EGLN1BBOX1FTOTHRATHRB
SCHEMBL523650 0.83 EGLN1 (0.46) EGLN1BBOX1FTO
SCHEMBL523649 0.83 EGLN1 (0.46) EGLN1BBOX1FTO
SCHEMBL523723 0.83 EGLN1 (0.46) EGLN1BBOX1FTO
SCHEMBL10509618 0.73 SPR (0.46) FTOHCRTR1HCRTR2
SCHEMBL2640103 0.71 ALDH1A1 (0.52) MAPT
SCHEMBL522787 0.69 EGLN1 (0.65) EGLN1BBOX1FTOTHRATHRB
SCHEMBL522330 0.68 NPSR1 (0.44) EGLN1THRATHRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644336-B1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND THEIR USE IN INCREASING ENDOGENEOUS ERYTHROPOIETIN FIBROGEN INC (US) 2011-01-19 EP claimed