SCHEMBL6964289

SCHEMBL6964289

COc1ccccc1COS(=O)(=S)c1ccc(C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ IDO1 P14902 2/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ POLB P06746 2/20 0.42
▸ PTGER1 P34995 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ATM Q13315 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CHRM2 P08172 2/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 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
SCHEMBL6965520 0.86 CA12 (0.45) SMN1; SMN2HSD17B10MEN1KMT2APKM
SCHEMBL6966156 0.84 MEN1 (0.51) SMN1; SMN2MEN1KMT2APOLBATM
SCHEMBL6964461 0.79 FFAR4 (0.47) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL9432132 0.77 CA9 (0.50) SMN1; SMN2KMT2ALMNAATMALDH1A1
SCHEMBL11709342 0.77 KMT2A (0.44) SMN1; SMN2HSD17B10MEN1KMT2ALMNA
SCHEMBL2337256 0.75 REN (0.44) SMN1; SMN2HSD17B10IDO1MEN1KMT2A
SCHEMBL6959194 0.75 CA2 (0.59) MEN1KMT2ALMNAALDH1A1CA12
SCHEMBL2207149 0.75 IDO1 (0.56) SMN1; SMN2IDO1KMT2APOLBLMNA
SCHEMBL14593746 0.75 VDR (0.45) SMN1; SMN2HSD17B10MEN1KMT2APKM
SCHEMBL9316876 0.74 CA12 (0.47) SMN1; SMN2HSD17B10MEN1KMT2APKM

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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