SCHEMBL9761801

SCHEMBL9761801

NCCCCCCc1nsc([N+](=O)[O-])c1N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 8/20 0.32
ALDH1A1 P00352 7/20 0.32
LMNA P02545 4/20 0.32
HTT P42858 4/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2C9 P11712 3/20 0.32
POLB P06746 2/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9761459 0.80 ALDH1A1 (0.39) KMT2AL3MBTL1MAPTALDH1A1LMNA
SCHEMBL9762538 0.78 SMN1; SMN2 (0.38) MAPTALDH1A1GAARAB9ACYP1A2
SCHEMBL9761212 0.76 PARP1 (0.36) KMT2AL3MBTL1MAPTALDH1A1LMNA
SCHEMBL9761589 0.75 KMT2A (0.44) KMT2AL3MBTL1MAPTALDH1A1LMNA
SCHEMBL9762348 0.75
SCHEMBL9761621 0.74 CYP1A2 (0.39) KMT2AMAPTALDH1A1LMNANPSR1
SCHEMBL9761748 0.74 HRH1 (0.32)
SCHEMBL9761856 0.70 KMT2A (0.40) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL9762513 0.69 MAPT (0.43) KMT2AL3MBTL1MAPTALDH1A1LMNA
SCHEMBL9761506 0.67 KMT2A (0.39) KMT2AL3MBTL1MAPTALDH1A1LMNA

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