SCHEMBL6964287

SCHEMBL6964287

COc1ccccc1CSS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 10/20 0.59
▸ ACHE P22303 10/20 0.59
▸ G6PD P11413 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HPGD P15428 1/20 0.43
▸ PTGER1 P34995 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL6965516 0.86 G6PD (0.54) BCHEACHEG6PDSMN1; SMN2HSD17B10
SCHEMBL17718253 0.85 ACHE (0.57) BCHEACHEG6PDLMNA
SCHEMBL17722483 0.82 BCHE (0.64) BCHEACHEG6PDMEN1KMT2A
SCHEMBL6966154 0.81 BCHE (0.66) BCHEACHEG6PDMEN1KMT2A
SCHEMBL11291599 0.79 BCHE (0.62) BCHEACHEG6PDSMN1; SMN2MEN1
SCHEMBL6964455 0.78 BCHE (0.54) BCHEACHEG6PDMEN1KMT2A
SCHEMBL17710447 0.75 BCHE (0.63) BCHEACHEG6PD
SCHEMBL11607679 0.74 BCHE (1.00) BCHEACHEG6PDMEN1KMT2A
SCHEMBL29965637 0.73 ALDH1A1 (0.55) SMN1; SMN2HSD17B10KMT2APTGER1POLB
SCHEMBL28543149 0.73 HPGD (0.58) SMN1; SMN2HSD17B10KMT2AHPGDPOLB

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 3 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
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