SCHEMBL4965866

SCHEMBL4965866

CCOC(=O)c1nc(C)n(-c2ccccc2I)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.45
TP53 P04637 1/20 0.44
ALOX12 P18054 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ELANE P08246 5/20 0.43
PDE4B Q07343 3/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
F2 P00734 1/20 0.41
PLAU P00749 1/20 0.41
CYP1A2 P05177 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40

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
SCHEMBL16935806 0.84 SLC5A1 (0.49) PDE4ATP53ALOX12NPSR1ELANE
SCHEMBL1078509 0.81 TP53 (0.58) PDE4ATP53ALOX12PDE4BPDE4C
SCHEMBL21621707 0.78 ALDH1A1 (0.50) TP53ALOX12NPSR1ELANECYP1A2
SCHEMBL1077879 0.76 HPGD (0.50) PDE4ATP53ALOX12NPSR1ELANE
SCHEMBL3604654 0.74 GLA (0.45) NPSR1ELANECYP1A2NPC1RAB9A
SCHEMBL18355727 0.74 ALDH1A1 (0.51) TP53ALOX12ELANECYP1A2NPC1
SCHEMBL18355722 0.74 ALDH1A1 (0.60) TP53ALOX12ELANEMAPK1MEN1
SCHEMBL4958802 0.72 ALDH1A1 (0.57) TP53ALOX12NPSR1ELANEPDE4D
SCHEMBL16935867 0.72 ALDH1A1 (0.54) PDE4ATP53ALOX12NPSR1ELANE
SCHEMBL18356070 0.72 ELANE (0.50) TP53ALOX12ELANEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874734-A1 1H-IMIDIAZOLE DERIVATIVES AS CANNABINOID CB2 RECEPTOR MODULATORS Solvay Pharmaceuticals B.V. (NL) 2008-01-09 EP disclosed
WO-2006087355-A1 1H-IMIDIAZOLE DERIVATIVES AS CANNABINOID CB2 RECEPTOR MODULATORS SOLVAY PHARMACEUTICALS B.V. (NL) 2006-08-24 WO disclosed