SCHEMBL4755878

SCHEMBL4755878

Cc1[c]c2ccccc2nc1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.48
CYP1A2 P05177 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NUDT1 P36639 1/20 0.44
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.39
STAT3 P40763 1/20 0.39
PDE10A Q9Y233 1/20 0.39
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
TP53 P04637 1/20 0.37
ERN1 O75460 1/20 0.37
CASP3 P42574 1/20 0.37
NQO2 P16083 2/20 0.37
HTT P42858 1/20 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
SCHEMBL6182821 0.79 GPR3 (0.45) GPR3CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL4876788 0.79 ALDH1A1 (0.46) GPR3CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL23981 0.76 MAPT (0.56) GPR3ALDH1A1HPGDHSD17B10MAPT
SCHEMBL9870551 0.75 GPR3 (0.41) GPR3CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL9870453 0.74 HSD17B10 (0.49) GPR3CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL6260849 0.72 MAP2K3 (0.42) CYP1A2ALDH1A1HPGDHSD17B10NUDT1
SCHEMBL3799070 0.72 HSD17B10 (0.44) GPR3CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL6048372 0.70 ACHE (0.39) CYP1A2ALDH1A1
SCHEMBL29364974 0.70 MAPT (0.62) GPR3CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL103601 0.70 MAPT (0.62) GPR3CYP1A2ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922403-A1 PESTICIDAL MIXTURES BASF Corporation (US) 2015-09-30 EP disclosed
WO-2014079719-A1 PESTICIDAL MIXTURES BASF SE (DE) 2014-05-30 WO disclosed
WO-2014079724-A1 PESTICIDAL MIXTURES BASF SE (DE) 2014-05-30 WO disclosed
WO-2014079728-A1 PESTICIDAL MIXTURES BASF SE (DE) 2014-05-30 WO disclosed
WO-2014079730-A1 PESTICIDAL MIXTURES BASF SE (DE) 2014-05-30 WO disclosed
WO-2014079771-A1 PESTICIDAL MIXTURES BASF SE (DE) 2014-05-30 WO disclosed
WO-2014079754-A1 PESTICIDAL MIXTURES BASF SE (DE) 2014-05-30 WO disclosed
WO-2008154905-A2 MODIFICATIONS OF THE HISTONE DEACETYLASE INHIBITOR SUBEROYLANILIDE HYDROXAMIC ACID SCHEBO BIOTECH AG (DE) 2008-12-24 WO disclosed