SCHEMBL4078616

SCHEMBL4078616

CC(C)Oc1ccc2c(O)c(OC(=O)O)nc(Cl)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.41
THRA P10827 3/20 0.41
THRB P10828 3/20 0.41
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
MCL1 Q07820 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
BBOX1 O75936 2/20 0.36

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
SCHEMBL4078672 0.95 ALDH1A1 (0.39) EGLN1THRATHRBALDH1A1KMT2A
SCHEMBL4069669 0.87 DHODH (0.44) EGLN1THRATHRBALDH1A1KDM4E
SCHEMBL4075828 0.82 ESR1 (0.38) EGLN1THRATHRBALDH1A1KMT2A
SCHEMBL1030683 0.82 SMN1; SMN2 (0.47) EGLN1THRATHRBALDH1A1PRKAB2
SCHEMBL1033645 0.82 EGLN1 (0.38) EGLN1THRATHRBALDH1A1KDM4E
SCHEMBL4075081 0.82 DHODH (0.44) EGLN1THRATHRBALDH1A1KDM4E
SCHEMBL523239 0.82 EGLN1 (0.50) EGLN1THRATHRBALDH1A1KMT2A
SCHEMBL4076022 0.81 THRA (0.41) EGLN1THRATHRBALDH1A1KMT2A
SCHEMBL1032619 0.81 THRA (0.39) EGLN1THRATHRBBBOX1FTO
SCHEMBL1033585 0.80 THRA (0.41) EGLN1THRATHRBKDM4EHPGD

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-1538160-B1 Substituted Isoquinolin-3-carboxyamides, their preparation and medical use FIBROGEN INC (US) 2009-06-03 EP disclosed