SCHEMBL28061742

SCHEMBL28061742

CCCCS(=O)(=O)C1CNCCN1N

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPT P10636 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
SCHEMBL11361171 0.74 APLNR (0.31)
SCHEMBL28326240 0.71 LMNA (0.39)
SCHEMBL14837693 0.69 CA1 (0.33) ALDH1A1
SCHEMBL28061741 0.69 KMT2A (0.45) ALDH1A1MAPT
SCHEMBL4933742 0.67 TAAR1 (0.39)
SCHEMBL10570095 0.65
SCHEMBL880998 0.64 SLC6A2 (0.39)
SCHEMBL4073047 0.64 KMT2A (0.41) ALDH1A1MAPT
SCHEMBL20236395 0.64 CA1 (0.35)
SCHEMBL3019820 0.63

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
CN-105601641-A 7-position piperazine sulfonamide camptothecin compounds, preparation method and application UNIV LANZHOU 2016-05-25 CN disclosed