SCHEMBL9618663

SCHEMBL9618663

CCNN=Cc1ncccc1Oc1nc(OC)cc(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.41
CTSA P10619 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL9618662 1.00 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1CTSAL3MBTL1NPSR1
SCHEMBL9732722 0.83 CTSA (0.41) SMN1; SMN2ALDH1A1CTSA
SCHEMBL9382970 0.83 CTSA (0.41) SMN1; SMN2ALDH1A1CTSA
SCHEMBL9732617 0.82 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1L3MBTL1NPSR1
SCHEMBL9732803 0.82 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1NPSR1
SCHEMBL9732797 0.82 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1NPSR1
SCHEMBL9733294 0.78 NFE2L2 (0.40) SMN1; SMN2ALDH1A1CTSAL3MBTL1
SCHEMBL9383414 0.77 NPSR1 (0.44) SMN1; SMN2ALDH1A1CTSAL3MBTL1NPSR1
SCHEMBL9628403 0.73 CTSA (0.41) SMN1; SMN2CTSANPSR1
SCHEMBL9629432 0.71 CTSA (0.41) SMN1; SMN2ALDH1A1CTSANPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4342574-A None JP disclosed
JP-H04342574-A ARYLALDEHYDE HYDRAZONE DERIVATIVE, ITS PRODUCTION AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT MITSUI TOATSU CHEM INC 1992-11-30 JP disclosed