SCHEMBL8919925

SCHEMBL8919925

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
METAP2 P50579 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
ADAM17 P78536 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CNR2 P34972 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.42

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
SCHEMBL8451179 0.82 METAP2 (0.47) POLBMAPTSMN1; SMN2METAP2CNR2
SCHEMBL8920514 0.76 CTSL (0.53) MAPTMETAP2MMP1MMP9MMP13
SCHEMBL8920506 0.76 CTSL (0.53) MAPTMETAP2MMP1MMP9MMP13
SCHEMBL5041804 0.76 ADAMTS5 (0.55) POLBTP53ADAMTS5ACHEALDH1A1
SCHEMBL28644268 0.75 ADAMTS5 (0.57) POLBMAPTSMN1; SMN2TP53ADAMTS5
SCHEMBL5573297 0.74 ADAMTS5 (0.73) POLBMAPTADAMTS5CNR2KMT2A
SCHEMBL5573300 0.74 ADAMTS5 (0.73) POLBMAPTADAMTS5CNR2KMT2A
SCHEMBL8451184 0.74 METAP2 (0.47) POLBMAPTSMN1; SMN2METAP2ALDH1A1
SCHEMBL8920959 0.74 METAP2 (0.52) POLBMAPTSMN1; SMN2METAP2BCHE
SCHEMBL5574109 0.74 ALDH1A1 (0.47) POLBTP53ADAMTS5ALDH1A1HPGD

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