SCHEMBL26568013

SCHEMBL26568013

Cc1cc2cc(CN(Cc3ccsc3)C(=S)NCCN3CCOCC3)c(=O)[nH]c2cc1C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 18/20 0.54
ALDH1A1 P00352 17/20 0.54
PKM P14618 2/20 0.54
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 5/20 0.52
GAA P10253 2/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTT P42858 1/20 0.49
USP2 O75604 1/20 0.48
ESR1 P03372 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EIF4E P06730 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL26110509 0.86 ALDH1A1 (0.66) KDM4EALDH1A1PKMTDP1LMNA
SCHEMBL26569399 0.83 KDM4E (0.58) KDM4EALDH1A1PKMLMNAGAA
SCHEMBL26111482 0.83 ALDH1A1 (0.74) KDM4EALDH1A1PKMTDP1LMNA
SCHEMBL26568831 0.82 KDM4E (0.54) KDM4EALDH1A1PKMTDP1LMNA
SCHEMBL26113339 0.82 KDM4E (0.56) KDM4EALDH1A1PKMTDP1LMNA
SCHEMBL26568017 0.82 KDM4E (0.66) KDM4EALDH1A1PKMLMNAGAA
SCHEMBL4080549 0.78 KDM4E (0.59) KDM4EALDH1A1PKMTDP1LMNA
SCHEMBL26569398 0.75 KDM4E (0.57) KDM4EALDH1A1PKMTDP1LMNA
SCHEMBL26569385 0.74 KDM4E (0.47) KDM4EALDH1A1PKMTDP1LMNA
SCHEMBL4071636 0.73 KDM4E (0.71) KDM4EALDH1A1PKMTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023182897-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
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