SCHEMBL31315669

SCHEMBL31315669

O=[N+]([O-])c1ccccc1SC1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
ALDH1A1 P00352 4/20 0.65
HPGD P15428 1/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4A O75164 1/20 0.51
TDP2 O95551 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
PDE7A Q13946 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
PKM P14618 1/20 0.44
CRBN Q96SW2 1/20 0.43
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ACHE P22303 1/20 0.41
LMNA P02545 1/20 0.40
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39

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
SCHEMBL6759187 1.00 MAPT (0.65) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL5262117 0.98 MAPT (0.62) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL875286 0.91 MAPT (0.57) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL8028472 0.84 MAPT (0.51) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL8328341 0.78 MAPT (0.56) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL8671634 0.78 HPGD (0.50) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL14705400 0.78 MEN1 (0.55) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL30548748 0.78 MAOA (0.44) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL20495594 0.78 MAOA (0.44) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL1341257 0.76 HPGD (0.51) MAPTALDH1A1HPGDMEN1KMT2A

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
CN-119039193-A Method for synthesizing (cyclohexylthio) benzene compound 常州大学 2024-11-29 CN disclosed