SCHEMBL8346286

SCHEMBL8346286

O=C(NCCNC(=O)c1ccccc1O)c1ccccc1O.[Mn]

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.67
NPC1 O15118 2/20 0.67
HPGD P15428 2/20 0.67
HSD17B10 Q99714 2/20 0.67
TSHR P16473 2/20 0.67
NAAA Q02083 1/20 0.67
ALDH1A1 P00352 1/20 0.67
MAPT P10636 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
NLRP1 Q9C000 1/20 0.67
KDM4E B2RXH2 2/20 0.61
GAA P10253 2/20 0.61
MPO P05164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HIF1A Q16665 1/20 0.61
ALOX5 P09917 1/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
POLB P06746 1/20 0.58
ESRRG P62508 1/20 0.58

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
SCHEMBL5707054 0.98 HTT (0.69) HTTNPC1HPGDHSD17B10TSHR
SCHEMBL31119120 0.98 HTT (0.69) HTTNPC1HPGDHSD17B10TSHR
SCHEMBL31119121 0.98 HTT (0.69) HTTNPC1HPGDHSD17B10TSHR
Hydrochloric Acid SCHEMBL15769882 0.96 HTT (0.67) HTTNPC1HPGDHSD17B10TSHR
SCHEMBL1658011 0.90 HPGD (0.66) HTTNPC1HPGDHSD17B10TSHR
SCHEMBL1754811 0.89 NAAA (0.64) HTTNPC1HPGDHSD17B10TSHR
Hydrochloric Acid SCHEMBL15769552 0.88 HTT (0.73) HTTNPC1HPGDHSD17B10TSHR
SCHEMBL1668940 0.88 ALDH1A1 (0.65) HTTNPC1HPGDHSD17B10TSHR
SCHEMBL823552 0.88 NAAA (0.84) HTTNPC1HPGDHSD17B10TSHR
SCHEMBL14839320 0.86 HTT (0.61) HTTNPC1HPGDHSD17B10TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5969171-A Metal complexes as bleach activators CLARIANT GMBH (DE) 1999-10-19 US disclosed