SCHEMBL6963798

SCHEMBL6963798

O=C(O)c1cccc(CSc2c(O)cc(-c3ccccc3)oc2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ACMSD Q8TDX5 5/20 0.48
RAB9A P51151 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.44
AR P10275 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
ADORA1 P30542 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
SCHEMBL6959313 0.88 POLB (0.50) SMN1; SMN2POLBL3MBTL1ACMSDHPGD
SCHEMBL6963884 0.88 GSK3B (0.48) SMN1; SMN2POLBL3MBTL1RAB9ANPC1
SCHEMBL6954786 0.88 SMN1; SMN2 (0.50) SMN1; SMN2POLBL3MBTL1HPGDALDH1A1
SCHEMBL6964536 0.85 DAO (0.46) SMN1; SMN2POLBL3MBTL1RAB9ANPC1
SCHEMBL6960312 0.83 SMN1; SMN2 (0.41) SMN1; SMN2POLBL3MBTL1NPC1HTT
SCHEMBL6960796 0.82 TNKS (0.47) SMN1; SMN2POLBL3MBTL1HPGDALDH1A1
SCHEMBL6958533 0.82 DAO (0.47) L3MBTL1NPC1HPGDALDH1A1
SCHEMBL6954509 0.82 NPC1 (0.47) SMN1; SMN2POLBL3MBTL1RAB9ANPC1
SCHEMBL6964680 0.81 DAO (0.46) SMN1; SMN2POLBL3MBTL1HPGDALDH1A1
SCHEMBL6955598 0.81 SMN1; SMN2 (0.47) SMN1; SMN2POLBL3MBTL1RAB9ANPC1

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-0729465-B1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2003-01-22 EP disclosed
US-6005103-A TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS WARNER-LAMBERT COMPANY (US) 1999-12-21 US disclosed
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed