SCHEMBL9761589

SCHEMBL9761589

Nc1nsc([N+](=O)[O-])c1N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 7/20 0.39
ALDH1A1 P00352 11/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 3/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL9761506 0.75 KMT2A (0.39) KMT2AL3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL9762513 0.75 MAPT (0.43) KMT2AL3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL9761801 0.75 KMT2A (0.37) KMT2AL3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL9761837 0.70 CYP1A2 (0.43) KMT2AMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL9761459 0.68 ALDH1A1 (0.39) KMT2AL3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL9761831 0.67 CCR6 (0.33) MAPTALDH1A1SMN1; SMN2
SCHEMBL9762334 0.67 ALDH1A1 (0.41) KMT2AMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL9761403 0.67 ALDH1A1 (0.32) MAPTALDH1A1HPGD
SCHEMBL9761185 0.65 L3MBTL1 (0.40) KMT2AL3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL5006050 0.65 ALDH1A1 (0.67) KMT2AL3MBTL1MAPTALDH1A1CYP1A2

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