SCHEMBL9761367

SCHEMBL9761367

Nc1nc([N+](=O)[O-])[nH]c1O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 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
SCHEMBL6638188 0.76 GALR3 (0.33) MAPT
SCHEMBL28286529 0.74 MAPT (0.37) ALDH1A1GAAMAPT
SCHEMBL31327250 0.62 ADORA2A (0.54)
SCHEMBL11388739 0.61 L3MBTL1 (0.60) L3MBTL1TDP1ALDH1A1GAAMAPT
SCHEMBL7701711 0.61 ALDH1A1 (0.35) ALOX15TDP1ALDH1A1MAPT
SCHEMBL20553556 0.61 ALDH1A1 (0.35) ALOX15TDP1ALDH1A1MAPT
SCHEMBL29484712 0.60 MGMT (0.43) TDP1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL1172667 0.59
SCHEMBL4213317 0.59 MMP13 (0.33) ALOX15MAPK1TDP1ALDH1A1MAPT
SCHEMBL21240594 0.59 GALR3 (0.33)

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