SCHEMBL6865800

SCHEMBL6865800

CCc1ccc(CN(CCO)CCN(Cc2ccc(CC)cn2)Cc2ccc(CC)cn2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HRH3 Q9Y5N1 3/20 0.40
HTT P42858 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
BCHE P06276 1/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LIN28A Q9H9Z2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 3/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 3/20 0.36
MEN1 O00255 2/20 0.36
MAPK1 P28482 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL5024697 0.85 HRH3 (0.43) KDM4EL3MBTL1HRH3ALDH1A1CYP1A2
SCHEMBL7650291 0.85 POLB (0.42) KDM4EHRH3HTTALDH1A1CYP1A2
SCHEMBL5025697 0.83 KMT2A (0.47) KDM4EL3MBTL1HRH3HTTALDH1A1
SCHEMBL5027192 0.82 KMT2A (0.39) KDM4EL3MBTL1HRH3ALDH1A1CYP1A2
SCHEMBL5023073 0.81 KMT2A (0.49) KDM4EHRH3HTTALDH1A1CYP1A2
SCHEMBL5027191 0.81 BCHE (0.44) KDM4EHTTALDH1A1BCHEMAPT
SCHEMBL9908275 0.80 HRH3 (0.46) KDM4EL3MBTL1HRH3HTTALDH1A1
SCHEMBL6865804 0.79 KDM4E (0.42) KDM4EL3MBTL1HRH3HTTALDH1A1
SCHEMBL6865796 0.79 KDM4E (0.42) KDM4EL3MBTL1HRH3HTTALDH1A1
SCHEMBL15483889 0.77 HRH3 (0.39) KDM4EL3MBTL1HRH3HTTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1008645-B1 Detergent bleaching compositions UNILEVER PLC (GB) 2004-07-21 EP disclosed
US-6165963-A Detergent bleaching composition comprising pentadentate ligand derivatives UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2000-12-26 US disclosed
EP-1008645-A1 Detergent bleaching compositions UNILEVER PLC (GB) 2000-06-14 EP disclosed
WO-2000027975-A1 DETERGENT BLEACHING COMPOSITION UNILEVER PLC (GB) 2000-05-18 WO disclosed