SCHEMBL6865796

SCHEMBL6865796

CCc1ccc(CN(/C=C/N(Cc2ccc(CC)cn2)Cc2ccc(CC)cn2)CCO)nc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HRH3 Q9Y5N1 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 7/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 5/20 0.35
MEN1 O00255 5/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NAMPT P43490 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL6865804 1.00 KDM4E (0.42) KDM4EL3MBTL1HRH3CYP1A2CYP2D6
SCHEMBL5024698 0.84 KDM4E (0.42) KDM4EL3MBTL1HRH3CYP1A2CYP2D6
SCHEMBL5024694 0.84 KDM4E (0.42) KDM4EL3MBTL1HRH3CYP1A2CYP2D6
SCHEMBL5027189 0.83 KDM4E (0.37) KDM4EL3MBTL1HRH3CYP1A2CYP2D6
SCHEMBL5027194 0.83 KDM4E (0.37) KDM4EL3MBTL1HRH3CYP1A2CYP2D6
SCHEMBL5027196 0.82 CXCR4 (0.36) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL5027186 0.82 CXCR4 (0.36) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL5025696 0.82 KMT2A (0.41) KDM4EL3MBTL1HRH3CYP1A2CYP2D6
SCHEMBL5025701 0.82 KMT2A (0.41) KDM4EL3MBTL1HRH3CYP1A2CYP2D6
SCHEMBL5023075 0.81 KMT2A (0.48) KDM4EL3MBTL1HRH3CYP1A2CYP2D6

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