SCHEMBL7813545

SCHEMBL7813545

CC(=O)C(NC(=O)[C@H](CC(C)C)NC(=O)NN1CCOCC1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ AIMP2 Q13155 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CTSK P43235 4/20 0.46
▸ CTSB P07858 3/20 0.46
▸ CTSS P25774 3/20 0.46
▸ CTSL P07711 2/20 0.46
▸ MMP13 P45452 4/20 0.44
▸ MMP9 P14780 2/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ MMP7 P09237 1/20 0.44
▸ CTSH P09668 1/20 0.42
▸ CTSC P53634 1/20 0.42
▸ ADAMTS4 O75173 1/20 0.40
▸ TACR2 P21452 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7610458 0.83 CTSK (0.57) KMT2AAIMP2MEN1CTSKCTSB
SCHEMBL7616420 0.82 CTSK (0.44) KMT2AAIMP2MEN1CTSKCTSB
SCHEMBL7159413 0.72 CTSS (0.57) KMT2AAIMP2MEN1CTSKCTSB
SCHEMBL3875831 0.72 MMP13 (0.54) KMT2AMMP13MMP9MMP1MMP2
SCHEMBL1376078 0.71 MMP13 (0.56) KMT2AAIMP2MEN1MMP13MMP9
SCHEMBL3878927 0.71 MMP13 (0.53) KMT2AMMP13MMP9MMP1MMP2
SCHEMBL22500340 0.70 MEN1 (0.79) KMT2AAIMP2MEN1CTSKCTSB
SCHEMBL22500318 0.69 MEN1 (0.81) KMT2AAIMP2MEN1CTSKCTSB
SCHEMBL22500423 0.69 MEN1 (0.69) KMT2AAIMP2MEN1MMP13MMP1
SCHEMBL22500424 0.69 MEN1 (0.69) KMT2AAIMP2MEN1MMP13MMP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068304-A4 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORP (US) 2001-05-09 — — EP claimed
EP-1068304-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 2001-01-17 — — EP claimed
WO-1999053039-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 — — WO claimed
EP-1068304-A4 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORP (US) 2001-05-09 — — EP disclosed
EP-1068304-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 2001-01-17 — — EP disclosed
WO-1999053039-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 — — WO disclosed
Send feedback