SCHEMBL8973149

SCHEMBL8973149

Cc1[nH]c(-c2ccccc2)nc1Cc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.47
GCGR P47871 3/20 0.47
MAPK12 P53778 3/20 0.47
MAPK11 Q15759 3/20 0.47
MAPK14 Q16539 3/20 0.47
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
PIN1 Q13526 1/20 0.44
MAPT P10636 5/20 0.42
TP53 P04637 1/20 0.42
TNKS O95271 2/20 0.41
TNKS2 Q9H2K2 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
NPY5R Q15761 1/20 0.41
HPGDS O60760 1/20 0.41
DGAT1 O75907 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 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
SCHEMBL8764478 0.89 PIN1 (0.50) DRD2DRD4DRD3PIN1MAPT
SCHEMBL8973605 0.88 PIN1 (0.46) DRD2DRD4DRD3PIN1MAPT
SCHEMBL8973635 0.85 DRD2 (0.47) MAPK13MAPK12MAPK11MAPK14DRD2
SCHEMBL8973651 0.79 ALDH1A1 (0.43) MAPK13MAPK12MAPK11MAPK14DRD2
SCHEMBL28412520 0.76 PIN1 (0.53) DRD2DRD4DRD3PIN1MAPT
SCHEMBL8973612 0.76 PIN1 (0.46) DRD2DRD4DRD3PIN1MAPT
SCHEMBL27741801 0.75 MAPK13 (0.69) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL28780235 0.75 MAPK13 (0.69) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL2868334 0.75 MAPK13 (0.44) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL1436137 0.74 PIN1 (0.51) DRD2DRD4DRD3PIN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5560785-A TREATING SURFACE WITH SOLUTION OF IMIDAZOLE COMPOUND, COPPER COMPOUND, ZINC COMPOUND, STABILIZERS SHIKOKU CHEMICALS CORPORATION (JP) 1996-10-01 US disclosed
US-5498301-A ON A PRINTED WIRING BOARD, HEAT RESISTANT, MOISTURE RESISTANT, A 2-ARYLIMIDAZOLE, CARBOXYLIC ACID, AMMONIA, WATER SHIKOKU CHEMICALS CORPORATION (JP) 1996-03-12 US disclosed
EP-0627499-A1 Agent for treating surfaces of copper and copper alloys SHIKOKU CHEMICALS CORPORATION (JP) 1994-12-07 EP disclosed