SCHEMBL8080882

SCHEMBL8080882

C=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.53
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
STAT3 P40763 1/20 0.53
BCR P11274 1/20 0.53
EPHX2 P34913 3/20 0.52
GAA P10253 1/20 0.50
ALDH1A1 P00352 2/20 0.48
GLA P06280 1/20 0.48
LMNA P02545 2/20 0.48
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
MCHR1 Q99705 1/20 0.45

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
SCHEMBL8080886 0.88 AKT1 (0.52) ABL1MAPTSMN1; SMN2STAT3BCR
SCHEMBL4250462 0.87 MAPT (0.67) ABL1MAPTSMN1; SMN2STAT3BCR
SCHEMBL13663056 0.78 EPHX2 (0.72) EPHX2
SCHEMBL28000086 0.77 LMNA (0.67) ABL1MAPTSMN1; SMN2STAT3EPHX2
SCHEMBL4251642 0.76 MAPT (0.62) ABL1MAPTSMN1; SMN2STAT3EPHX2
SCHEMBL8086591 0.74 CNR2 (0.56) MAPTSMN1; SMN2ALDH1A1LMNAKCNQ3
SCHEMBL15391445 0.71 ABL1 (0.70) ABL1
SCHEMBL5863308 0.71 EPHX2 (0.72) MAPTSMN1; SMN2EPHX2GAAALDH1A1
SCHEMBL4737529 0.71 KCNQ3 (0.73) MAPTSMN1; SMN2STAT3ALDH1A1LMNA
SCHEMBL5863233 0.70 HDAC8 (0.62) ABL1MAPTSMN1; SMN2EPHX2GAA

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
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed