SCHEMBL9760943

SCHEMBL9760943

CC(C)Cc1snc([N+](=O)[O-])c1NC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.37
MEN1 O00255 6/20 0.37
GABBR2 O75899 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 3/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 3/20 0.33
CDK2 P24941 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL9761511 0.79 KMT2A (0.36) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL9762473 0.72 KMT2A (0.44) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL9762169 0.68 KMT2A (0.37) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL9762544 0.67 GAA (0.31) GAA
SCHEMBL9762165 0.65 KMT2A (0.44) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL9762608 0.65 NPBWR1 (0.38) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL9761185 0.64 L3MBTL1 (0.40) KMT2ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL9761408 0.63 KMT2A (0.41) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL9761815 0.62 MAPT (0.37) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL9762636 0.62 RIPK1 (0.41) KMT2AMEN1GABBR2CYP1A2CYP2C9

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