SCHEMBL5298909

SCHEMBL5298909

COc1nsc(S(=O)(=O)Cc2ccc(C)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
TXNRD1 Q16881 2/20 0.44
ALDH1A1 P00352 3/20 0.37
ADRB2 P07550 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 4/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PLCG1 P19174 1/20 0.35
GRM4 Q14833 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KMT2A Q03164 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL5290581 0.89 PLCG1 (0.47) TXNRD1ALDH1A1L3MBTL1MAPTTP53
SCHEMBL5298171 0.87 TXNRD1 (0.45) POLBTXNRD1ALDH1A1L3MBTL1MAPT
SCHEMBL5293941 0.87 TXNRD1 (0.43) POLBTXNRD1ALDH1A1MAPTHTT
SCHEMBL5295830 0.86 L3MBTL1 (0.32) POLBTXNRD1L3MBTL1
SCHEMBL5304080 0.84 ALDH1A1 (0.51) POLBALDH1A1MAPTBCHEACHE
SCHEMBL5301629 0.83 KMT2A (0.41) TXNRD1ALDH1A1L3MBTL1TP53PLCG1
SCHEMBL5297846 0.80 AR (0.45) L3MBTL1CA1CA2CA9KMT2A
SCHEMBL5290607 0.78 ALDH1A1 (0.49) TXNRD1ALDH1A1MAPTTP53HTT
SCHEMBL5294347 0.78 ALDH1A1 (0.42) TXNRD1ALDH1A1L3MBTL1MAPTTP53
SCHEMBL5306337 0.78 TXNRD1 (0.49) TXNRD1ALDH1A1MAPTTP53GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007012724-A1 1,2,4-THIADIAZOLE DERIVATIVES ANTIFUNGAL COMPOUNDS, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF CYTOMICS SYSTEMS (FR) 2007-02-01 WO claimed
WO-2007012724-A1 1,2,4-THIADIAZOLE DERIVATIVES ANTIFUNGAL COMPOUNDS, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF CYTOMICS SYSTEMS (FR) 2007-02-01 WO disclosed