SCHEMBL6744048

SCHEMBL6744048

COc1cc([N+](=O)[O-])ccc1[N+]#N.COc1cc([N+](=O)[O-])ccc1[N+]#N.[O-]B1OB2OB([O-])OB(O1)O2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.41
GAA P10253 1/20 0.39
ALDH1A1 P00352 6/20 0.39
KMT2A Q03164 4/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MCL1 Q07820 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS2 P35354 2/20 0.37
CYP19A1 P11511 1/20 0.37
GLA P06280 1/20 0.37
EPHX1 P07099 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
SCHEMBL276717 0.88 HTT (0.60) HTTTDP1LMNASMN1; SMN2PKM
SCHEMBL31139772 0.88 HTT (0.60) HTTTDP1LMNASMN1; SMN2PKM
Hydrochloric Acid SCHEMBL8501645 0.86 HTT (0.58) HTTTDP1LMNASMN1; SMN2PKM
Hydrochloric Acid SCHEMBL11387243 0.85 HTT (0.57) HTTTDP1LMNASMN1; SMN2PKM
Hydrochloric Acid SCHEMBL10955241 0.85 HTT (0.57) HTTTDP1LMNASMN1; SMN2PKM
SCHEMBL9876067 0.84 HTT (0.53) HTTTDP1LMNASMN1; SMN2PKM
Hydrochloric Acid SCHEMBL10949926 0.84 HTT (0.55) HTTTDP1LMNASMN1; SMN2PKM
SCHEMBL10836987 0.82 HTT (0.54) HTTTDP1LMNASMN1; SMN2PKM
SCHEMBL4606843 0.82 HTT (0.54) HTTTDP1LMNASMN1; SMN2PKM
Boric Acid SCHEMBL6744053 0.80 HTT (0.51) HTTTDP1LMNASMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696297-B2 DETECTING BILIRUBIN IN A SAMPLE TO OBTAIN A FIRST MEASUREMENT INDICATIVE OF AMOUNT OF BILIRUBIN IN SAMPLE; DETECTING BILIRUBIN ANALOG COMPOUND IN CONTROL REAGENT TO OBTAIN MEASUREMENT INDICATIVE OF AMOUNT OF ANALOG; COMPARING MEDICAL ANALYSIS SYSTEMS, INC. 2004-02-24 US disclosed
US-20020146630-A1 Non-oxidizable bilirubin substitutes and uses therefor MEDICAL ANALYSIS SYSTEMS, INC. 2002-10-10 US disclosed