SCHEMBL19986772

SCHEMBL19986772

CCO[PH](=O)Cc1cccc(COc2ccccc2CC2CCN(Cc3ccc4nc(-c5ccc(C(F)(F)F)cc5)[nH]c4c3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.42
CHEK2 O96017 11/20 0.41
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
NPBWR1 P48145 1/20 0.38
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
DGAT1 O75907 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
SCHEMBL19982657 0.94 DRD4 (0.42) SLC2A1CHEK2BCHEACHEDRD4
SCHEMBL19982671 0.93 BCHE (0.45) CHEK2BCHEACHEGRIN1GRIN2B
SCHEMBL19982564 0.87 SLC2A1 (0.42) SLC2A1CHEK2BCHEACHEDRD4
SCHEMBL19986769 0.85 DRD4 (0.45) SLC2A1CHEK2BCHEACHEDRD4
SCHEMBL19970810 0.84 CHEK2 (0.41) SLC2A1CHEK2BCHEACHEGRIN1
SCHEMBL19982584 0.83 CHEK2 (0.46) CHEK2BCHEACHEDGAT1
SCHEMBL19982656 0.82 DRD4 (0.42) SLC2A1CHEK2BCHEACHEDRD4
SCHEMBL19970723 0.80 CHEK2 (0.43) CHEK2BCHEACHE
SCHEMBL19982651 0.80 CYP1A2 (0.42) CHEK2BCHEACHEDRD4DRD3
SCHEMBL19986770 0.80 BCHE (0.45) CHEK2BCHEACHEGRIN1GRIN2B

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
EP-3296297-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-21 EP disclosed