SCHEMBL20201842

SCHEMBL20201842

CC(C)COc1cccc(C2(NCCCCCCCN3CCC(=O)NC3=O)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DUT P33316 7/20 0.43
TRIM24 O15164 2/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
FAAH O00519 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
SCHEMBL20208033 0.87 DUT (0.36) DUTTRIM24KMT2AMEN1GAA
SCHEMBL18374042 0.86 DUT (0.51) DUTTRIM24KMT2AMEN1ALDH1A1
SCHEMBL20207747 0.81 DUT (0.44) DUTTRIM24KMT2AMEN1MAOA
SCHEMBL20351689 0.79 DUT (0.51) DUT
SCHEMBL20376268 0.77 DUT (0.47) DUT
SCHEMBL18374646 0.77 DUT (0.61) DUTTRIM24
SCHEMBL20560409 0.76 DUT (0.55) DUT
SCHEMBL18374426 0.76 DUT (0.55) DUT
SCHEMBL20201497 0.75 DUT (0.53) DUT
SCHEMBL18374044 0.74 DUT (0.40) DUTTRIM24KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018128720-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-07-12 WO disclosed
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098207-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed