SCHEMBL16922176

SCHEMBL16922176

CC(=O)N[13c]1[13cH][13cH][13c]([N+](=O)[O-])[13cH][13cH]1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.81
MAPT P10636 6/20 0.73
MEN1 O00255 4/20 0.73
ALDH1A1 P00352 4/20 0.73
KDM4E B2RXH2 1/20 0.73
CYP3A4 P08684 1/20 0.73
HPGD P15428 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
POLB P06746 1/20 0.68
HSP90AA1 P07900 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.67
NPC1 O15118 1/20 0.67
LMNA P02545 1/20 0.67
MAPK1 P28482 1/20 0.67
GAA P10253 2/20 0.64

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
SCHEMBL642700 1.00 KMT2A (0.81) KMT2AMAPTMEN1ALDH1A1KDM4E
Phosphine SCHEMBL28320532 0.98 KMT2A (0.78) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL6815786 0.91 MAPT (0.76) KMT2AMAPTMEN1ALDH1A1KDM4E
1,2-Dichloroethane SCHEMBL29197936 0.91 KMT2A (0.69) KMT2AMAPTMEN1ALDH1A1KDM4E
Acetanilide SCHEMBL27366940 0.91 KMT2A (0.69) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL24291388 0.90 MAPT (0.74) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL9367406 0.90 KMT2A (0.77) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL13219021 0.90 KMT2A (0.68) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL3891683 0.90 KMT2A (1.00) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL3902453 0.90 KMT2A (0.73) KMT2AMAPTMEN1ALDH1A1KDM4E

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-9347961-B2 Test kit for the quantitative determination of narcotic drugs CHIRON AS (NO) 2016-05-24 US disclosed
US-20150204893-A1 TEST KIT FOR THE QUANTITATIVE DETERMINATION OF NARCOTIC DRUGS CHIRON AS (NO) 2015-07-23 US disclosed