SCHEMBL9761506

SCHEMBL9761506

CC(C)(C)Oc1nsc([N+](=O)[O-])c1N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 2/20 0.37
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9762513 0.82 MAPT (0.43) KMT2AL3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL9761589 0.75 KMT2A (0.44) KMT2AL3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL9762588 0.74
SCHEMBL9761231 0.72 ALDH1A1 (0.41) KMT2AMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9761801 0.67 KMT2A (0.37) KMT2AL3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL9762334 0.64 ALDH1A1 (0.41) KMT2AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL9762166 0.64 MAPT (0.46) KMT2AL3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL9761185 0.62 L3MBTL1 (0.40) KMT2AL3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL18660604 0.62 KMT2A (0.56) KMT2AHTTMAPTSMN1; SMN2ALDH1A1
SCHEMBL9761459 0.60 ALDH1A1 (0.39) KMT2AL3MBTL1MAPTSMN1; SMN2ALDH1A1

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