SCHEMBL9422608

SCHEMBL9422608

Cc1cc(=O)c(-c2ccccc2)c(C)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.51
MAPK8 P45983 1/20 0.51
CDK5 Q00535 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
GAA P10253 3/20 0.47
CYP1A2 P05177 1/20 0.47
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
ALOX15 P16050 1/20 0.42
BRD4 O60885 2/20 0.41
HTT P42858 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 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
SCHEMBL9269889 0.96 PDGFRA (0.49) PDGFRAMAPK8CDK5CLK4GAA
SCHEMBL9265637 0.85 GSTP1 (0.51) PDGFRAMAPK8CDK5CLK4GAA
SCHEMBL9455121 0.85 ALDH1A1 (0.46) GAACYP1A2LMNABRD4KDM4E
SCHEMBL13754678 0.82 HPGDS (0.48) PDGFRAMAPK8CDK5CLK4GAA
SCHEMBL9269940 0.81 SLC2A1 (0.49) GAACYP1A2LMNAMAPTBRD4
SCHEMBL9136486 0.81 IMPDH2 (0.47) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL3398595 0.81 LMNA (0.49) GAACYP1A2LMNAMAPTKDM4E
SCHEMBL9455077 0.81 KEAP1 (0.49) MAPTKDM4ESMN1; SMN2PTGS2
SCHEMBL5100169 0.80 SLC2A1 (0.48) GAACYP1A2LMNAMAPTBRD4
SCHEMBL9259612 0.80 KEAP1 (0.47) MAPTKDM4ESMN1; SMN2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6199796-A None JP disclosed
JP-H06199796-A PYRIDINE DERIVATIVE IMPERIAL CHEM IND PLC <ICI> 1994-07-19 JP disclosed
US-5198439-A Hypotensive agents, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-30 US disclosed
US-5130318-A Hypotensive agents and for treatment of congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-14 US disclosed
CN-1055925-A Pyridine derivate and preparation method thereof ICI PLC (GB) 1991-11-06 CN disclosed
EP-0453210-A2 Pyridine derivatives ZENECA LIMITED (GB) 1991-10-23 EP disclosed