SCHEMBL31040491

SCHEMBL31040491

O=C(O)OCCSSc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
EHMT2 Q96KQ7 1/20 0.47
EHMT1 Q9H9B1 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 11/20 0.45
HDAC2 Q92769 11/20 0.45
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL903346 1.00 ALDH1A1 (0.49) ALDH1A1EHMT2EHMT1APOBEC3GMAPT
SCHEMBL31040490 1.00 ALDH1A1 (0.49) ALDH1A1EHMT2EHMT1APOBEC3GMAPT
SCHEMBL28255049 0.91 HDAC1 (0.48) ALDH1A1EHMT2EHMT1APOBEC3GMAPT
SCHEMBL15777571 0.89 EHMT2 (0.48) ALDH1A1EHMT2EHMT1APOBEC3GMAPT
SCHEMBL844408 0.88 EHMT2 (0.47) ALDH1A1EHMT2EHMT1APOBEC3GMAPT
SCHEMBL15669431 0.87 EHMT2 (0.46) ALDH1A1EHMT2EHMT1APOBEC3GMAPT
SCHEMBL17253259 0.87 LMNA (0.47) ALDH1A1EHMT2EHMT1APOBEC3GMAPT
SCHEMBL20863126 0.84 ALDH1A1 (0.64) ALDH1A1MAPTKMT2ALMNAHPGD
SCHEMBL2738375 0.84 LMNA (0.51) ALDH1A1EHMT2EHMT1APOBEC3GMAPT
SCHEMBL20095020 0.84 LMNA (0.45) ALDH1A1EHMT2EHMT1APOBEC3GMAPT

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-118510545-A Peptide-drug conjugates for the treatment of neurodegenerative diseases 哥本哈根大学 2024-08-16 CN disclosed