SCHEMBL9762656

SCHEMBL9762656

CCOc1nsc([N+](=O)[O-])c1N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 2/20 0.33
HTT P42858 1/20 0.33
PTGS2 P35354 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL9761257 0.78 CCR6 (0.32) MAPT
SCHEMBL9760998 0.77 MAPT (0.36) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL9761403 0.70 ALDH1A1 (0.32) MAPTALDH1A1
SCHEMBL9762608 0.69 NPBWR1 (0.38) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL9760901 0.68 MAPT (0.33) MAPTPOLB
SCHEMBL9762405 0.67 MAPT (0.42) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL10400102 0.66 MAPT (0.41) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL11710459 0.62 MAPK8 (0.40) LMNAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL29242781 0.62 MAPT (0.41) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL30677226 0.62 MAPT (0.47) MAPTLMNAALDH1A1MEN1KMT2A

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