SCHEMBL26569385

SCHEMBL26569385

Cc1cc2cc(CN(Cc3ccccn3)C(=S)NCCN3CCCCC3)c(=O)[nH]c2cc1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.47
ALDH1A1 P00352 13/20 0.47
PKM P14618 2/20 0.47
MAPT P10636 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 7/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.45
HPGD P15428 3/20 0.45
GAA P10253 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
PARP1 P09874 1/20 0.43
EIF4E P06730 1/20 0.42

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
SCHEMBL26113339 0.92 KDM4E (0.56) KDM4EALDH1A1PKMMAPTNPSR1
SCHEMBL30593623 0.85 KDM4E (0.57) KDM4EALDH1A1PKMMAPTNPSR1
SCHEMBL26112639 0.85 KDM4E (0.57) KDM4EALDH1A1PKMMAPTNPSR1
SCHEMBL26568020 0.83 KDM4E (0.65) KDM4EALDH1A1PKMMAPTNPSR1
SCHEMBL26111482 0.76 ALDH1A1 (0.74) KDM4EALDH1A1PKMMAPTNPSR1
SCHEMBL26110509 0.76 ALDH1A1 (0.66) KDM4EALDH1A1PKMMAPTNPSR1
SCHEMBL26568013 0.74 KDM4E (0.54) KDM4EALDH1A1PKMNPSR1MEN1
SCHEMBL26568831 0.73 KDM4E (0.54) KDM4EALDH1A1PKMMAPTNPSR1
SCHEMBL26113450 0.69 IDH1 (0.49) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL30593620 0.67 ALDH1A1 (0.71) KDM4EALDH1A1PKMMAPTRAB9A

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