SCHEMBL29923016

SCHEMBL29923016

COc1cccc(NC(=O)NC2CCC(=O)NC2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
MAPT P10636 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 2/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
CCKBR P32239 4/20 0.55
EPHX2 P34913 1/20 0.54
CRBN Q96SW2 5/20 0.52
DDB1 Q16531 4/20 0.52
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
MITF O75030 1/20 0.48

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
SCHEMBL19370808 1.00 MEN1 (0.59) MEN1MAPTKMT2AALDH1A1NPC1
SCHEMBL19359484 1.00 MEN1 (0.59) MEN1MAPTKMT2AALDH1A1NPC1
SCHEMBL21965737 0.83 DDB1 (0.67) CRBNDDB1TSHR
SCHEMBL23874550 0.81 CRBN (0.66) MEN1KMT2ARAB9AEPHX2CRBN
SCHEMBL20811941 0.81 CRBN (0.69) MEN1KMT2AALDH1A1CRBNDDB1
SCHEMBL19370726 0.79 NPC1 (0.58) MEN1MAPTKMT2AALDH1A1NPC1
SCHEMBL8904435 0.77 MAPT (0.53) MEN1MAPTKMT2AALDH1A1NPC1
SCHEMBL8904206 0.77 MAPT (0.53) MEN1MAPTKMT2AALDH1A1NPC1
SCHEMBL8904208 0.77 MAPT (0.53) MEN1MAPTKMT2AALDH1A1NPC1
SCHEMBL4893387 0.74 TP53 (0.87) MEN1MAPTKMT2AALDH1A1NPC1

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-109153644-B Small molecules against CEREBLON to enhance effector T cell function H·李·莫菲特癌症中心研究有限公司 2022-10-21 CN disclosed