SCHEMBL6962962

SCHEMBL6962962

Cc1ccc(S(=O)(O)=S)c(CCc2ccccc2Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.41
LMNA P02545 3/20 0.40
ALOX12 P18054 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.39
KMT2A Q03164 1/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 2/20 0.37
DAO P14920 1/20 0.37
MAPT P10636 1/20 0.36
P2RX7 Q99572 1/20 0.36
PTGS2 P35354 2/20 0.36
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
KCNJ6 P48051 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36

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
SCHEMBL6604218 0.92 LMNA (0.40) LMNAALOX12KMT2ATP53POLB
SCHEMBL11210379 0.83 TAAR1 (0.41) TAAR1LMNAALOX12PTGES2KMT2A
SCHEMBL6604226 0.83 TDP1 (0.43) LMNAALOX12KMT2AMAPTALDH1A1
SCHEMBL5676910 0.80 LMNA (0.40) LMNAALOX12KMT2ATP53POLB
SCHEMBL10592891 0.79 AMY1A (0.35) TAAR1LMNAKMT2APOLBMAPT
SCHEMBL10590939 0.79 AMY1A (0.35) TAAR1LMNAKMT2APOLBMAPT
SCHEMBL6605222 0.78 MEN1 (0.45) ALOX12KMT2APOLBMAPTALDH1A1
SCHEMBL7387360 0.78 TDP1 (0.47) LMNAKMT2APOLBMAPTALDH1A1
SCHEMBL6959650 0.78 TDP1 (0.47) KMT2APOLBALDH1A1
SCHEMBL29988145 0.77 PTGES2 (0.44) LMNAPTGES2KMT2ATP53PTGS2

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 7 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
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 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