SCHEMBL13515212

SCHEMBL13515212

C=C(C)c1csc(-c2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
TDP1 Q9NUW8 2/20 0.54
CTSK P43235 1/20 0.54
HPGD P15428 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HPGDS O60760 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR7 Q9NYK1 1/20 0.50
MAPT P10636 3/20 0.49
ATM Q13315 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
SREBF2 Q12772 1/20 0.47

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
SCHEMBL1574742 0.82 HDAC1 (0.66) HDAC1HDAC8HDAC6TDP1CTSK
SCHEMBL2529363 0.79 CTSK (0.62) HDAC1HDAC8HDAC6TDP1CTSK
SCHEMBL2529359 0.79 CTSK (0.62) HDAC1HDAC8HDAC6TDP1CTSK
SCHEMBL7692307 0.79 CTSK (0.62) HDAC1HDAC8HDAC6TDP1CTSK
SCHEMBL352152 0.78 HPGDS (0.73) HDAC1HDAC8HDAC6TDP1HPGD
SCHEMBL27768678 0.78 HDAC1 (0.70) HDAC1HDAC8HDAC6TDP1HPGD
SCHEMBL3612948 0.77 HDAC1 (0.59) HDAC1HDAC8HDAC6TDP1CTSK
Hydrochloric Acid SCHEMBL6821751 0.76 HPGDS (0.71) HDAC1HDAC8HDAC6TDP1HPGD
SCHEMBL9613348 0.76 ALDH1A1 (0.72) HDAC1HDAC8HDAC6HPGDHPGDS
SCHEMBL168519 0.75 HTR2B (0.66) HDAC1HDAC8HDAC6TDP1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846424-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-01-27 EP disclosed