SCHEMBL9762169

SCHEMBL9762169

CN(C)c1c([N+](=O)[O-])nsc1NC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.37
MEN1 O00255 6/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GABBR2 O75899 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CDK2 P24941 1/20 0.34
FYN P06241 1/20 0.34
RIPK1 Q13546 1/20 0.33
HTT P42858 2/20 0.33

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
SCHEMBL9762597 0.70 KMT2A (0.40) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL9762572 0.68 GAA (0.36) MAPTALDH1A1GAAHTTMAPK1
SCHEMBL9762566 0.68 NPBWR1 (0.41) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL9760943 0.68 KMT2A (0.37) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL9761168 0.66 GAA (0.35) MAPTALDH1A1GAAHTTMAPK1
SCHEMBL9761511 0.65 KMT2A (0.36) KMT2AMEN1MAPTLMNAGABBR2
SCHEMBL9761612 0.65 NPSR1 (0.41) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL9761815 0.62 MAPT (0.37) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL9762579 0.62 KMT2A (0.46) KMT2AMEN1MAPTLMNAGABBR2
SCHEMBL9761608 0.62 MAPT (0.39) KMT2AMEN1MAPTSMN1; SMN2LMNA

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