SCHEMBL24378432

SCHEMBL24378432

CC(=O)N[C@@H](CCSSc1ccccn1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.48
HDAC2 Q92769 13/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.43
GNPAT O15228 1/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
EHMT1 Q9H9B1 1/20 0.40
APOBEC3G Q9HC16 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
SCHEMBL31005433 0.89 HDAC1 (0.45) HDAC1HDAC2SMN1; SMN2ALDH1A1EHMT2
SCHEMBL24360385 0.88 ALDH1A1 (0.45) HDAC1HDAC2SMN1; SMN2ALDH1A1HPGD
SCHEMBL20998952 0.88 ALDH1A1 (0.45) HDAC1HDAC2SMN1; SMN2ALDH1A1HPGD
SCHEMBL19188184 0.87 HDAC1 (0.47) HDAC1HDAC2SMN1; SMN2ALDH1A1HPGD
SCHEMBL10086909 0.81 ALDH1A1 (0.47) HDAC1HDAC2SMN1; SMN2ALDH1A1HPGD
SCHEMBL898975 0.80 HDAC2 (0.47) HDAC1HDAC2SMN1; SMN2ALDH1A1
SCHEMBL25413645 0.79 ALDH1A1 (0.47) HDAC1HDAC2ALDH1A1EHMT2EHMT1
SCHEMBL25413647 0.79 ALDH1A1 (0.47) HDAC1HDAC2ALDH1A1EHMT2EHMT1
SCHEMBL9915159 0.79 HDAC1 (0.42) HDAC1HDAC2SMN1; SMN2ALDH1A1HPGD
SCHEMBL4349165 0.78 ALDH1A1 (0.43) HDAC1HDAC2SMN1; SMN2ALDH1A1HPGD

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-2022084738-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2022-04-28 WO disclosed