SCHEMBL6865245

SCHEMBL6865245

Cc1cc(C)n(CN(CCN(Cn2nc(C)cc2C)Cn2nc(C)cc2C)Cc2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PTGS2 P35354 1/20 0.39
GAA P10253 2/20 0.39
GLS O94925 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL10277520 0.92 CYP2C19 (0.44) CYP2C19LMNAKDM4EALDH1A1GLA
SCHEMBL6865241 0.78 ALDH1A1 (0.42) CYP2C19LMNAKDM4EALDH1A1GLA
SCHEMBL6865247 0.78 ALDH1A1 (0.42) CYP2C19LMNAKDM4EALDH1A1GLA
SCHEMBL6863522 0.78 ALDH1A1 (0.47) LMNAKDM4EALDH1A1GLAGLS
SCHEMBL348053 0.77 ALDH1A1 (0.57) LMNAKDM4EALDH1A1GLAGLS
SCHEMBL6859139 0.76 ALDH1A1 (0.46) LMNAKDM4EALDH1A1GLAGLS
SCHEMBL6868228 0.75 LMNA (0.45) LMNAKDM4EALDH1A1GLAGAA
SCHEMBL3769408 0.75 KMT2A (0.58) CYP2C19LMNAKDM4EALDH1A1CYP1A2
SCHEMBL3322508 0.74 LMNA (0.61) CYP2C19LMNAKDM4EALDH1A1GLA
SCHEMBL10277637 0.73 ALDH1A1 (0.46) LMNAKDM4EALDH1A1GLAGLS

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