SCHEMBL27369815

SCHEMBL27369815

CCC(=O)NCCOCCOCCOC1CCN(S)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
EPHX2 P34913 4/20 0.34
RECQL P46063 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.30
MTNR1A P48039 2/20 0.30
MTNR1B P49286 2/20 0.30
NQO2 P16083 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
SCHEMBL27366224 0.88 MEN1 (0.36) MEN1KMT2AEPHX2MTNR1AMTNR1B
SCHEMBL27369741 0.88 MEN1 (0.36) MEN1KMT2AEPHX2MTNR1AMTNR1B
SCHEMBL27364923 0.86 EPHX2 (0.37) MEN1KMT2AEPHX2RECQLALDH1A1
SCHEMBL27364848 0.84 MEN1 (0.38) MEN1KMT2AEPHX2
SCHEMBL23190300 0.75 MEN1 (0.58) MEN1KMT2AEPHX2RECQL
SCHEMBL12572605 0.75 MEN1 (0.58) MEN1KMT2AEPHX2RECQL
SCHEMBL17145177 0.73 MEN1 (0.61) MEN1KMT2AEPHX2RECQLTSHR
SCHEMBL27369636 0.73 MEN1 (0.36) MEN1KMT2AEPHX2ALDH1A1MTNR1A
SCHEMBL27456337 0.73 ALDH1A1 (0.34) MEN1KMT2AEPHX2ALDH1A1
SCHEMBL27369779 0.72 CA2 (0.36) MEN1KMT2AEPHX2ALDH1A1TDP1

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-2024054954-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 WO disclosed