SCHEMBL19982671

SCHEMBL19982671

CCO[PH](=O)Cc1cccc(COc2ccccc2CC2CCN(Cc3ccc4nc(-c5ccccc5)[nH]c4c3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
CHEK2 O96017 13/20 0.44
GRIN1 Q05586 3/20 0.39
GRIN2B Q13224 3/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL19986772 0.93 SLC2A1 (0.42) BCHEACHECHEK2GRIN1GRIN2B
SCHEMBL19982657 0.92 DRD4 (0.42) BCHEACHECHEK2
SCHEMBL19986770 0.86 BCHE (0.45) BCHEACHECHEK2GRIN1GRIN2B
SCHEMBL19970824 0.82 BCHE (0.45) BCHEACHECHEK2GRIN1GRIN2B
SCHEMBL19986769 0.82 DRD4 (0.45) BCHEACHECHEK2
SCHEMBL19982584 0.81 CHEK2 (0.46) BCHEACHECHEK2
SCHEMBL19982651 0.81 CYP1A2 (0.42) BCHEACHECHEK2
SCHEMBL19982564 0.80 SLC2A1 (0.42) BCHEACHECHEK2GRIN1GRIN2B
SCHEMBL19982656 0.79 DRD4 (0.42) BCHEACHECHEK2
SCHEMBL19970723 0.79 CHEK2 (0.43) BCHEACHECHEK2

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
WO-2018050771-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-22 WO disclosed
EP-3296297-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-21 EP disclosed