SCHEMBL20840100

SCHEMBL20840100

CNC(C)CCOc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
DRD4 P21917 2/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
SLC6A4 P31645 1/20 0.42
EPHX2 P34913 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL25858277 0.81 MAPT (0.53) KDM4EALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL16622970 0.81 MAPT (0.53) KDM4EALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL941201 0.81 TDP1 (0.66) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL22604524 0.78 MAPT (0.49) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL17286565 0.76 TDP1 (0.53) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL6557649 0.73 MAOB (0.57) KDM4EALDH1A1DRD4DRD2DRD3
Dimethylamine SCHEMBL6784757 0.73 MAPT (0.59) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL15634869 0.73 ESRRG (0.45) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL7767418 0.73 HTR1B (0.64) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL6852447 0.72 TDP1 (0.50) KDM4EALDH1A1DRD4DRD2DRD3

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-2019057757-A1 1,3-DIHYDROIMIDAZO[4,5-C]CINNOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2019-03-28 WO disclosed