SCHEMBL6872602

SCHEMBL6872602

CC(C)(C)c1ccccc1OC(=S)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.50
BCHE P06276 1/20 0.44
ALDH1A1 P00352 5/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
CA2 P00918 1/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
NAMPT P43490 1/20 0.37
NISCH Q9Y2I1 1/20 0.36
RBP4 P02753 2/20 0.35

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
SCHEMBL2884826 0.81 TDP1 (0.58) TDP1ATMBCHEALDH1A1TSHR
SCHEMBL4730798 0.78 TDP1 (0.47) TDP1ATMBCHEALDH1A1TSHR
SCHEMBL10584699 0.78 TDP1 (0.54) TDP1ATMBCHEALDH1A1TSHR
SCHEMBL30134334 0.76 TDP1 (0.62) TDP1ATMBCHEALDH1A1TSHR
SCHEMBL47807 0.76 TDP1 (0.62) TDP1ATMBCHEALDH1A1TSHR
SCHEMBL27853484 0.76 TDP1 (0.72) TDP1ATMBCHEALDH1A1TSHR
SCHEMBL6933536 0.74 ALDH1A1 (0.46) TDP1ATMBCHEALDH1A1TSHR
SCHEMBL47808 0.74 TDP1 (0.65) TDP1ATMBCHEALDH1A1TSHR
SCHEMBL31304747 0.74 TDP1 (0.65) TDP1ATMBCHEALDH1A1TSHR
SCHEMBL6403938 0.74 TDP1 (0.60) TDP1ATMBCHEALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6822089-B1 FROM CORRESPONDING RIBONUCLEOSIDES BY FORMING 3-TERT-BUTYLPHENOXYTHIOCARBONYL DERIVATIVES AND EFFECTING RADICAL DEOXYGENATION; SOLID PHASE SYNTHESIS ISIS PHARMACEUTICALS, INC. 2004-11-23 US claimed
EP-1366056-A2 PREPARATION OF DEOXYNUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 2003-12-03 EP claimed
EP-1366056-A4 PREPARATION OF DEOXYNUCLEOSIDES ISIS PHARMACEUTICALS INC (US) 2003-12-03 EP claimed
WO-2001073095-A2 PREPARATION OF DEOXYNUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 2001-10-04 WO claimed
US-6822089-B1 FROM CORRESPONDING RIBONUCLEOSIDES BY FORMING 3-TERT-BUTYLPHENOXYTHIOCARBONYL DERIVATIVES AND EFFECTING RADICAL DEOXYGENATION; SOLID PHASE SYNTHESIS ISIS PHARMACEUTICALS, INC. 2004-11-23 US disclosed
EP-1366056-A2 PREPARATION OF DEOXYNUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 2003-12-03 EP disclosed
EP-1366056-A4 PREPARATION OF DEOXYNUCLEOSIDES ISIS PHARMACEUTICALS INC (US) 2003-12-03 EP disclosed
WO-2001073095-A2 PREPARATION OF DEOXYNUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 2001-10-04 WO disclosed