SCHEMBL5747158

SCHEMBL5747158

COC(=O)[C@H](CC(C)C)N1C(=O)CSC1c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MAPT P10636 1/20 0.52
XBP1 P17861 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNA5 P22460 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTR7 P34969 1/20 0.41
MDM2 Q00987 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL5747156 1.00 HTT (0.52) HTTGAASMN1; SMN2NPSR1MAPT
SCHEMBL5747163 1.00 HTT (0.52) HTTGAASMN1; SMN2NPSR1MAPT
SCHEMBL5745404 0.89 PTGS2 (0.53) HTTGAANPSR1MAPTL3MBTL1
SCHEMBL5747229 0.78 KMT2A (0.53) HTTGAANPSR1MAPTL3MBTL1
SCHEMBL9668771 0.74 CCR1 (0.40) NPSR1LMNAMEN1KMT2AMDM2
SCHEMBL5156506 0.71 CACNA1B (0.61) GAASMN1; SMN2NPSR1HPGDATM
SCHEMBL22737743 0.68 PTGS2 (0.54) NPSR1KCNA5MEN1KMT2AHTR7
SCHEMBL26292080 0.66 POLB (0.40) GAASMN1; SMN2NPSR1KMT2A
SCHEMBL9104273 0.65 NPSR1 (0.43) SMN1; SMN2NPSR1MAPTLMNAATM
SCHEMBL21009001 0.65 MDM2 (0.50) HTTGAASMN1; SMN2NPSR1MAPT

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
EP-1173427-B1 HYDROXAMIC ACID DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2006-04-05 EP disclosed
US-6713477-B1 1,4-BENZTHIAZINES OR BENZOXAZINES; MATRIX METALLOPROTEINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-30 US disclosed