SCHEMBL6599666

SCHEMBL6599666

O=C1Nc2ccccc2C1=CNc1cccc(CCO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
TGM2 P21980 1/20 0.45
IDO1 P14902 1/20 0.45
MAP3K7 O43318 2/20 0.44
TAB1 Q15750 2/20 0.44
PLK4 O00444 3/20 0.43
PLK1 P53350 3/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
KDR P35968 1/20 0.41

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
SCHEMBL4987427 0.90 ALDH1A1 (0.49) ALDH1A1MAPTNPSR1KDM4EPKM
SCHEMBL4987422 0.90 ALDH1A1 (0.49) ALDH1A1MAPTNPSR1KDM4EPKM
SCHEMBL4990328 0.87 FLT1 (0.50) ALDH1A1MAPTNPSR1KDM4EPKM
SCHEMBL4990335 0.87 FLT1 (0.50) ALDH1A1MAPTNPSR1KDM4EPKM
SCHEMBL4992126 0.86 ALDH1A1 (0.50) ALDH1A1MAPTNPSR1KDM4EPKM
SCHEMBL4992130 0.86 ALDH1A1 (0.50) ALDH1A1MAPTNPSR1KDM4EPKM
SCHEMBL4993224 0.85 ALDH1A1 (0.49) ALDH1A1MAPTNPSR1KDM4EPKM
SCHEMBL4993230 0.85 ALDH1A1 (0.49) ALDH1A1MAPTNPSR1KDM4EPKM
SCHEMBL6608680 0.83 ALDH1A1 (0.47) ALDH1A1MAPTNPSR1KDM4EPKM
SCHEMBL6608678 0.83 ALDH1A1 (0.47) ALDH1A1MAPTNPSR1KDM4EPKM

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
EP-1430048-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS Allergan, Inc. (US) 2004-06-23 EP disclosed
WO-2003027102-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 WO disclosed