SCHEMBL8920959

SCHEMBL8920959

CCOC(=O)[C@@H](N)CSCc1ccccc1.CNS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.52
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
GAA P10253 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
CA12 O43570 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ATM Q13315 1/20 0.41
CA9 Q16790 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA2 P00918 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL2238552 0.84 METAP2 (0.60) METAP2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7323491 0.84 METAP2 (0.60) METAP2KMT2AMEN1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7323488 0.83 METAP2 (0.59) METAP2ALDH1A1SMN1; SMN2CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL3366424 0.83 METAP2 (0.59) METAP2ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL8920506 0.81 CTSL (0.53) METAP2KMT2AMEN1MAPTALDH1A1
SCHEMBL8920514 0.81 CTSL (0.53) METAP2KMT2AMEN1MAPTALDH1A1
SCHEMBL10519231 0.81 ALDH1A1 (0.49) METAP2KMT2AMEN1MAPTALDH1A1
SCHEMBL27538430 0.81 LMNA (0.47) METAP2KMT2AMEN1MAPTBCHE
SCHEMBL4141148 0.75 METAP2 (0.52) METAP2MAPTHTTGAAL3MBTL1
SCHEMBL1839764 0.75 METAP2 (0.52) METAP2MAPTHTTGAAL3MBTL1

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
US-5684137-A TECHNETIUM AND RHENIUM LABELS FOR LIGANDS AND PROTEINS NEORX CORPORATION (US) 1997-11-04 US disclosed
US-5252721-A S3 N chelating compounds NEORX CORPORATION (US) 1993-10-12 US disclosed