SCHEMBL19982686

SCHEMBL19982686

Oc1ccccc1OCc1cccc(CP)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.54
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.47
JAK2 O60674 1/20 0.47
LMNA P02545 1/20 0.47
MAOB P27338 1/20 0.46
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ENPP2 Q13822 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
MRGPRX4 Q96LA9 5/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL3918355 0.83 APP (0.54) APPMAPTGAAJAK2LMNA
SCHEMBL3917345 0.80 LMNA (0.57) APPMAPTLMNAMAOBL3MBTL1
SCHEMBL11083786 0.80 ENPP2 (0.66) APPMAOBHTR1AADRA1DADRA1A
SCHEMBL130119 0.80 APP (0.72) APPMAPTGAAJAK2LMNA
SCHEMBL10856962 0.76 MAOB (0.58) APPMAPTGAAMAOBL3MBTL1
Benzyl Bromide SCHEMBL6219860 0.76 APP (0.47) APPMAPTGAAJAK2LMNA
SCHEMBL10854605 0.75 APP (0.60) APPMAPTGAAJAK2LMNA
SCHEMBL8960607 0.74 APP (0.76) APPMAPTGAAJAK2LMNA
SCHEMBL6357776 0.74 MRGPRX4 (0.53) MAPTHTR1AADRA1DADRA1AADRA1B
SCHEMBL17560070 0.74 ALDH1A1 (0.61) MAPTLMNAMAOBHTR1AADRA1D

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