SCHEMBL9762665

SCHEMBL9762665

CCN(CC)c1c([N+](=O)[O-])n[nH]c1O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 2/20 0.31
TP53 P04637 1/20 0.31
ATM Q13315 1/20 0.31
HCAR3 P49019 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
RAB9A P51151 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
SCHEMBL9761689 0.73 KCNH2 (0.36) ALDH1A1MAPT
SCHEMBL3636660 0.69 MAPT (0.33) ALDH1A1MAPTHPGDHTTATM
SCHEMBL9762596 0.67 MAPT (0.31) MAPT
SCHEMBL9762325 0.66 ALDH1A1 (0.33) ALDH1A1MAPTKMT2AHPGDMEN1
SCHEMBL9761859 0.65 ALDH1A1 (0.36) ALDH1A1
SCHEMBL9762423 0.64 ALDH1A1 (0.35) ALDH1A1MAPTL3MBTL1HTTTP53
SCHEMBL9762365 0.64 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL9762344 0.61 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AHPGDMEN1
SCHEMBL9762284 0.61 ALDH1A1 (0.35) ALDH1A1MAPTL3MBTL1HTTSMN1; SMN2
SCHEMBL3632711 0.61 MAPT (0.32) MAPTKMT2AMEN1L3MBTL1HTT

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