SCHEMBL28648577

SCHEMBL28648577

CN1CCNCC1C(Cl)Cl

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 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
SCHEMBL27031143 0.83 TDP1 (0.30) TDP1
SCHEMBL18425837 0.83 TDP1 (0.30) TDP1
SCHEMBL11638598 0.82 TDP1 (0.31) TDP1
Hydrochloric Acid SCHEMBL27147349 0.81
Hydrochloric Acid SCHEMBL27031214 0.81
SCHEMBL1189704 0.80 TDP1 (0.36) TDP1
SCHEMBL14111345 0.80 TDP1 (0.36) TDP1
SCHEMBL2918217 0.80 TDP1 (0.36) TDP1
Hydrochloric Acid SCHEMBL27848081 0.78 TDP1 (0.35) TDP1
SCHEMBL1251225 0.77 TDP1 (0.32) TDP1

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-113501796-A Aminoethylated piperazine and preparation method thereof 大连理工大学 2021-10-15 CN disclosed