SCHEMBL9760917

SCHEMBL9760917

CCc1nc([N+](=O)[O-])c(N(CC)CC)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH3A1 P30838 1/20 0.32
ADORA3 P0DMS8 3/20 0.32
ADORA1 P30542 3/20 0.32
ADORA2A P29274 2/20 0.32
HCAR3 P49019 1/20 0.31
ALOX15 P16050 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NPBWR1 P48145 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL22375160 0.75 GAA (0.46) GAAALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL9761816 0.74 GAA (0.45) GAAALDH1A1SMN1; SMN2MAPTADORA3
SCHEMBL9761852 0.64 L3MBTL1 (0.41) GAAALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL9762636 0.63 RIPK1 (0.41) GAAALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL9762478 0.63 KMT2A (0.32) ALDH1A1RAB9AKMT2A
SCHEMBL9761080 0.62 MAT2A (0.34) ALDH1A1RAB9AMAPTALOX15HTT
SCHEMBL9761859 0.62 ALDH1A1 (0.36) ALDH1A1
SCHEMBL9762410 0.61 ALOX15 (0.42) GAAALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL9762423 0.61 ALDH1A1 (0.35) GAAALDH1A1RAB9AMAPTMAPK1
SCHEMBL9762365 0.61 ALDH1A1 (0.45) GAAALDH1A1SMN1; SMN2RAB9AMAPT

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