SCHEMBL27414786

SCHEMBL27414786

Cc1ccc(SP(=S)(S)Sc2ccc(Br)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 1/20 0.33
TP53 P04637 1/20 0.33
CTSL P07711 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
ACHE P22303 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL1973376 0.90 ACHE (0.38) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL26189425 0.90 MAOA (0.39) ALDH1A1LMNATSHRMAPK1MAOA
SCHEMBL26985642 0.80 ALDH1A1 (0.37) ALDH1A1LMNAMAOAMAOBSMN1; SMN2
SCHEMBL8467881 0.74 LMNA (0.37) ALDH1A1LMNATSHRACHETDP1
SCHEMBL1975999 0.72 ACHE (0.42) ALDH1A1MEN1KMT2ACYP3A4LMNA
SCHEMBL19735872 0.72 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL19382447 0.72 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL808 0.71
SCHEMBL869949 0.69 LMNA (0.39) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL10874516 0.69 ACHE (0.38) ALDH1A1MEN1KMT2AMAPK1ACHE

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-2024092256-A2 PEPTIDE-ANTISENSE OLIGONUCLEOTIDES AND THEIR USE FOR TREATMENT OF NEURODEGENERATIVE DISORDERS EISAI R&D MANAGEMENT CO., LTD. (JP) 2024-05-02 WO disclosed