SCHEMBL6864944

SCHEMBL6864944

CCN(/C=C/N(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
MAPT P10636 1/20 0.52
LIN28A Q9H9Z2 1/20 0.52
KCNA5 P22460 1/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
HRH1 P35367 1/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6864956 1.00 SMN1; SMN2 (0.52) SMN1; SMN2TDP1MAPTLIN28AKCNA5
SCHEMBL5556273 0.91 SMN1; SMN2 (0.61) SMN1; SMN2TDP1MAPTLIN28AKCNA5
SCHEMBL5556275 0.91 SMN1; SMN2 (0.61) SMN1; SMN2TDP1MAPTLIN28AKCNA5
SCHEMBL5563786 0.84 TDP1 (0.50) SMN1; SMN2TDP1MAPTLIN28AKCNA5
SCHEMBL10127312 0.84 SMN1; SMN2 (0.50) SMN1; SMN2TDP1MAPTLIN28AKCNA5
SCHEMBL5563789 0.84 TDP1 (0.50) SMN1; SMN2TDP1MAPTLIN28AKCNA5
SCHEMBL846458 0.83 TDP1 (0.50) SMN1; SMN2TDP1MAPTLIN28AKCNA5
SCHEMBL846456 0.83 TDP1 (0.50) SMN1; SMN2TDP1MAPTLIN28AKCNA5
SCHEMBL5562542 0.82 CYP1A2 (0.53) SMN1; SMN2TDP1MAPTLIN28AKCNA5
SCHEMBL5562534 0.82 CYP1A2 (0.53) SMN1; SMN2TDP1MAPTLIN28AKCNA5

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