SCHEMBL6865241

SCHEMBL6865241

Cc1cc(C)n(CN(/C=C/N(Cn2nc(C)cc2C)Cn2nc(C)cc2C)Cc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
CYP2C19 P33261 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PTGS2 P35354 1/20 0.39
GAA P10253 2/20 0.38
GLS O94925 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 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
SCHEMBL6865247 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EGLACYP2C19LMNA
SCHEMBL10277520 0.82 CYP2C19 (0.44) ALDH1A1KDM4EGLACYP2C19LMNA
SCHEMBL6863526 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EGLALMNAGLS
SCHEMBL6863518 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EGLALMNAGLS
SCHEMBL6865245 0.78 CYP2C19 (0.41) ALDH1A1KDM4EGLACYP2C19LMNA
SCHEMBL6859137 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EGLALMNAGLS
SCHEMBL6859144 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EGLALMNAGLS
SCHEMBL6868234 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EGLALMNAGAA
SCHEMBL6868222 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EGLALMNAGAA
SCHEMBL3322508 0.73 LMNA (0.61) ALDH1A1KDM4EGLACYP2C19LMNA

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