SCHEMBL9761840

SCHEMBL9761840

CN(C)c1nc(N)c([N+](=O)[O-])[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.38
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAT2A P31153 1/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
SGK1 O00141 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
GMNN O75496 1/20 0.31
CYP3A4 P08684 1/20 0.31
CSNK2A2 P19784 1/20 0.31
NFKB1 P19838 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
MAPK1 P28482 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL9761080 0.73 MAT2A (0.34) ALDH1A1MAPTMAT2AHTTRAB9A
SCHEMBL9762396 0.72 MAPT (0.33) MAPT
SCHEMBL9762560 0.67 PIK3CB (0.49) ALDH1A1MAPTSMN1; SMN2HTTMEN1
SCHEMBL9762579 0.66 KMT2A (0.46) MAPTLMNAMEN1NPC1CDK2
SCHEMBL9761376 0.65 MAPT (0.35) ALDH1A1MAPTLMNAMEN1NPC1
SCHEMBL9762532 0.63 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9762507 0.63 MAPT (0.39) ALDH1A1MAPTSMN1; SMN2PKM
SCHEMBL9762410 0.61 ALOX15 (0.42) ALDH1A1MAPTSMN1; SMN2LMNARAB9A
SCHEMBL9761367 0.60 ALOX15 (0.38) ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL9761190 0.59 TSHR (0.37) ALDH1A1MAPTSMN1; SMN2HTTMEN1

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