SCHEMBL22201501

SCHEMBL22201501

CC(C)NC(C)CC(C)NP

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
APEX1 P27695 1/20 0.30
PMP22 Q01453 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
SCHEMBL19986440 0.85 TDP1 (0.50) TDP1CYP1A2CYP2D6APEX1PMP22
SCHEMBL23568731 0.73
SCHEMBL12703373 0.73 TDP1 (0.44) TDP1CYP1A2CYP2D6APEX1PMP22
SCHEMBL13995874 0.73 TDP1 (0.44) TDP1CYP1A2CYP2D6APEX1PMP22
SCHEMBL13995936 0.73 TDP1 (0.44) TDP1CYP1A2CYP2D6APEX1PMP22
SCHEMBL13540012 0.70 TDP1 (0.35) TDP1CYP1A2CYP2D6
SCHEMBL18359341 0.69 TDP1 (0.39) TDP1CYP1A2CYP2D6APEX1PMP22
SCHEMBL21909918 0.69 ALDH1A1 (0.45) TDP1CYP1A2CYP2D6APEX1PMP22
SCHEMBL1291692 0.69 TDP1 (0.39) TDP1CYP1A2CYP2D6APEX1PMP22
SCHEMBL24288643 0.67 TDP1 (0.37) TDP1CYP1A2CYP2D6APEX1PMP22

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
EP-3677588-A1 MODIFIED OLIGONUCLEOTIDES AND COMPOUND THAT CAN BE USED FOR SYNTHESIZING SAME Guangzhou Ribobio Co., Ltd. (CN) 2020-07-08 EP disclosed