SCHEMBL6897172

SCHEMBL6897172

CCOc1cccc2c1[N]c1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.40
PPARG P37231 1/20 0.40
STAT3 P40763 1/20 0.40
NCOA2 Q15596 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PDK2 Q15119 1/20 0.39
PTPRC P08575 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.39
PDE5A O76074 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TTR P02766 1/20 0.38
GUSB P08236 1/20 0.38
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 1/20 0.37
HPGD P15428 2/20 0.37

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
SCHEMBL6897435 0.76 CA1 (0.40) ALDH1A1NPSR1PDE5AALOX15
SCHEMBL5600247 0.73 GABRA1 (0.39) ALDH1A1PDK2L3MBTL1MAPTNPC1
SCHEMBL198911 0.72 ALDH1A1 (0.60) ALDH1A1KDM4EPPARGSTAT3NCOA2
SCHEMBL5600727 0.71 TSHR (0.46) ALDH1A1KDM4EL3MBTL1
SCHEMBL5602181 0.70 PPARA (0.33) ALDH1A1KDM4EHPGD
1,2-Diethoxybenzene SCHEMBL29428929 0.70 ALDH1A1 (0.68) ALDH1A1KDM4EL3MBTL1NPSR1MAPT
1,2-Diethoxybenzene SCHEMBL578986 0.70 ALDH1A1 (0.68) ALDH1A1KDM4EL3MBTL1NPSR1MAPT
SCHEMBL5601783 0.69 GABRA1 (0.39) L3MBTL1HPGD
SCHEMBL3628908 0.69 ENPP1 (0.48) ALDH1A1KDM4EPPARGSTAT3NCOA2
SCHEMBL3870558 0.69 L3MBTL1 (0.47) ALDH1A1KDM4EPDK2L3MBTL1MAPT

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
JP-2004315495-A NEW ARYLAMINE DERIVATIVE HAVING FLUORENE SKELETON, SYNTHETIC INTERMEDIATE OF THE SAME, METHOD FOR PRODUCING THEM AND ORGANIC EL ELEMENT TOSOH CORP 2004-11-11 JP disclosed