SCHEMBL9761709

SCHEMBL9761709

CN(C)c1n[nH]c([N+](=O)[O-])c1N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 5/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 3/20 0.36
MAPT P10636 3/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 2/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.36
MCL1 Q07820 1/20 0.35
PIK3CB P42338 1/20 0.35
LMNA P02545 1/20 0.34
AURKA O14965 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL9762223 0.72 ALDH1A1 (0.46) KMT2AL3MBTL1ALDH1A1CYP1A2CYP2C9
SCHEMBL9762560 0.69 PIK3CB (0.49) KMT2AALDH1A1CYP1A2CYP2C9MAPT
SCHEMBL9761212 0.69 PARP1 (0.36) KMT2AL3MBTL1ALDH1A1CYP1A2CYP2C9
SCHEMBL9762532 0.67 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9761085 0.67 MAPT (0.40) KMT2AL3MBTL1ALDH1A1CYP1A2CYP2C9
SCHEMBL9762562 0.67 ALDH1A1 (0.38) KMT2AL3MBTL1ALDH1A1CYP1A2CYP2C9
SCHEMBL9762325 0.66 ALDH1A1 (0.33) KMT2AL3MBTL1ALDH1A1MAPTPOLB
SCHEMBL1124092 0.66 ALDH1A1 (0.54) KMT2AALDH1A1CYP1A2CYP2C9MAPT
SCHEMBL9761124 0.64 KMT2A (0.52) KMT2AALDH1A1CYP1A2CYP2C9MAPT
SCHEMBL9761268 0.62 CYP1A2 (0.37) KMT2AALDH1A1CYP1A2CYP2C9MAPT

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