SCHEMBL6863522

SCHEMBL6863522

CCN(CCN(Cn1nc(C)cc1C)Cn1nc(C)cc1C)Cn1nc(C)cc1C

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
GLA P06280 1/20 0.47
GLS O94925 1/20 0.46
LMNA P02545 4/20 0.43
TDP1 Q9NUW8 1/20 0.40
APAF1 O14727 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL348053 0.85 ALDH1A1 (0.57) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL10277637 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL6859139 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL6868228 0.83 LMNA (0.45) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL6866621 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL6865245 0.78 CYP2C19 (0.41) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL18157935 0.75 ALDH1A1 (0.55) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL6863518 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL6863526 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL29351434 0.73 GLS (0.62) ALDH1A1KDM4EGLAGLSLMNA

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 3 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