SCHEMBL26568012

SCHEMBL26568012

Cc1cc2cc(CN(Cc3cc(/[SH]=C(\NCCCN(C)C)N(Cc4ccco4)Cc4cc5cc(C)c(C)cc5[nH]c4=O)cs3)C(=S)NCCN3CCOCC3)c(=O)[nH]c2cc1C

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 17/20 0.60
ALDH1A1 P00352 15/20 0.60
TDP1 Q9NUW8 1/20 0.60
LMNA P02545 9/20 0.52
MAPT P10636 4/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 3/20 0.51
PKM P14618 2/20 0.48
MAPK1 P28482 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RAD52 P43351 1/20 0.44

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
SCHEMBL26569398 0.96 KDM4E (0.57) KDM4EALDH1A1TDP1LMNAMAPT
SCHEMBL26111482 0.85 ALDH1A1 (0.74) KDM4EALDH1A1TDP1LMNAMAPT
SCHEMBL26116157 0.82 KDM4E (0.75) KDM4EALDH1A1TDP1LMNAMAPT
SCHEMBL30593621 0.78 KDM4E (0.77) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL26112800 0.78 KDM4E (0.77) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL26110509 0.77 ALDH1A1 (0.66) KDM4EALDH1A1TDP1LMNAMAPT
SCHEMBL4071636 0.77 KDM4E (0.71) KDM4EALDH1A1TDP1LMNAMAPT
SCHEMBL26568013 0.74 KDM4E (0.54) KDM4EALDH1A1TDP1LMNAKMT2A
SCHEMBL26568771 0.73 ALDH1A1 (0.79) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL26113339 0.72 KDM4E (0.56) KDM4EALDH1A1TDP1LMNAMAPT

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-2023182899-A1 INHIBITORS OF INTERACTIONS BETWEEN TRF1-TIN2 OR TRF2-TIN2 TELOMERIC PROTEINS FOR USE IN ANTICANCER THERAPY Politechnika Gdańska (PL) 2023-09-28 WO disclosed