SCHEMBL9761124

SCHEMBL9761124

Cc1nc(N2CCOCC2)[nH]c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
TSHR P16473 2/20 0.52
MEN1 O00255 2/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 2/20 0.42
PIM1 P11309 1/20 0.41
CYP3A4 P08684 1/20 0.41
TP53 P04637 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL9761856 0.73 KMT2A (0.40) KMT2ATSHRMEN1HSD17B10SMN1; SMN2
SCHEMBL4035896 0.72 KMT2A (0.55) KMT2ATSHRMEN1HSD17B10SMN1; SMN2
SCHEMBL9760977 0.71 POLB (0.52) KMT2ATSHRMEN1HSD17B10ALDH1A1
SCHEMBL3204082 0.70 ALDH1A1 (0.76) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL9762223 0.70 ALDH1A1 (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL9762560 0.70 PIK3CB (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL7323015 0.68 MAPT (0.46) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL9762614 0.68 POLB (0.49) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL312049 0.67 TP53 (0.53) KMT2ATSHRMEN1ALDH1A1MAPT
SCHEMBL312048 0.67 TP53 (0.53) KMT2AMEN1ALDH1A1MAPTMAPK1

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-5026694-A Antitumor agents THE BRITISH COLUMBIA CANCER FOUNDATION (CA) 1991-06-25 US disclosed