SCHEMBL26110511

SCHEMBL26110511

Cc1cc2cc(CN(Cc3cccs3)C(=S)NCCN(C)C)c(=O)[nH]c2cc1C

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 17/20 0.71
KDM4E B2RXH2 13/20 0.71
HPGD P15428 4/20 0.71
LMNA P02545 10/20 0.71
HTT P42858 3/20 0.68
KMT2A Q03164 7/20 0.62
MAPT P10636 6/20 0.59
MEN1 O00255 6/20 0.59
GAA P10253 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
PKM P14618 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
RECQL P46063 1/20 0.55

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
SCHEMBL30593620 1.00 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDLMNAHTT
SCHEMBL26568771 0.95 ALDH1A1 (0.79) ALDH1A1KDM4EHPGDLMNAHTT
SCHEMBL26110509 0.84 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDLMNAHTT
SCHEMBL30593621 0.84 KDM4E (0.77) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL26569399 0.84 KDM4E (0.58) ALDH1A1KDM4EHPGDLMNAHTT
SCHEMBL26112800 0.84 KDM4E (0.77) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL30593623 0.81 KDM4E (0.57) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL26112639 0.81 KDM4E (0.57) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL26116157 0.79 KDM4E (0.75) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL26568017 0.79 KDM4E (0.66) ALDH1A1KDM4EHPGDLMNAKMT2A

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-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