SCHEMBL5812439

SCHEMBL5812439

CCNc1[nH]nc(-c2ccccc2)c1-c1ccc(=O)n(-c2ccccc2OCC)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
ADORA2A P29274 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
MAPK13 O15264 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK11 Q15759 1/20 0.35
SLC5A1 P13866 1/20 0.34
TTK P33981 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 2/20 0.33

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
SCHEMBL5811120 0.91 ADORA3 (0.40) HTR1AADORA2AALDH1A1APOBEC3GFABP3
SCHEMBL5807295 0.86 MAPK11 (0.44) MAPTALDH1A1LMNAMAPK13CYP2C9
SCHEMBL5812295 0.81 MAPK13 (0.53) MAPTALDH1A1MAPK13CYP2C9MAPK11
SCHEMBL5808593 0.75 MAPK11 (0.44) MAPTALDH1A1MAPK13CYP2C9MAPK11
SCHEMBL5806880 0.72 MAPK13 (0.50) ADORA2AMAPTALDH1A1LMNAMAPK13
SCHEMBL5811997 0.72 MAPK11 (0.57) MAPK13CYP2C9MAPK11
Bromide SCHEMBL5806494 0.72 CYP1A2 (0.50) ADORA2AMAPTALDH1A1LMNACYP2C9
SCHEMBL4246294 0.72 MAPK11 (0.55) MAPTALDH1A1MAPK13CYP2C9MAPK11
SCHEMBL4246031 0.72 MAPK13 (0.49) MAPTALDH1A1FABP4MAPK13CYP2C9
SCHEMBL4243633 0.71 MAPK13 (0.49) MAPTALDH1A1MAPK13CYP2C9MAPK11

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
WO-2006038734-A1 PYRIDAZINONE DERIVATIVES CYTOKINES INHIBITORS ASTELLAS PHARMA INC. (JP) 2006-04-13 WO disclosed