SCHEMBL31228191

SCHEMBL31228191

CC(C)(C)OC(=O)NCCSCCSCCN

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.41
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
EPHX1 P07099 1/20 0.40
IDO1 P14902 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
BCHE P06276 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
SCHEMBL10331453 0.98 TDP1 (0.49) TDP1MAOAMAOBMEN1GAA
SCHEMBL19165152 0.85 TDP1 (0.49) TDP1MAOAMAOBMEN1GAA
SCHEMBL1584489 0.85 TDP1 (0.49) TDP1MAOAMAOBMEN1GAA
Hydrochloric Acid SCHEMBL3193200 0.83 TDP1 (0.47) TDP1MAOAMAOBMEN1GAA
SCHEMBL25250680 0.83 TDP1 (0.50) TDP1MAOAMAOBMEN1GAA
SCHEMBL16917207 0.83 TDP1 (0.50) TDP1MAOAMAOBMEN1GAA
SCHEMBL8438785 0.83 TDP1 (0.59) TDP1MAOAMAOBMEN1GAA
SCHEMBL32688836 0.81 TDP1 (0.49) TDP1MAOAMAOBMEN1GAA
SCHEMBL5209522 0.81 TDP1 (0.51) TDP1MAOAMAOBMEN1GAA
SCHEMBL6478259 0.80 KMT2A (0.49) TDP1MAOAMAOBMEN1GAA

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
WO-2024257106-A1 POLYMERIZATION-INDUCING CHIMERAS TARGETING HOMOMERIC PROTEINS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2024-12-19 WO disclosed