SCHEMBL7795333

SCHEMBL7795333

CC(O)c1ccc2c(c1)cc(C(=O)N1CCc3sc(C(=O)NO)cc3C1)n2C

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 9/20 0.59
▸ QRFPR Q96P65 3/20 0.42
▸ KCNH2 Q12809 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ KCNE1 P15382 1/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ PRMT5 O14744 8/20 0.40
▸ WDR77 Q9BQA1 8/20 0.40
▸ KDM1A O60341 3/20 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
SCHEMBL7796723 0.93 HDAC6 (0.59) HDAC6QRFPRKCNH2CYP2D6KCNE1
SCHEMBL12883422 0.84 HDAC6 (0.60) HDAC6QRFPRKCNH2CYP2D6KCNE1
SCHEMBL1173788 0.81 HDAC6 (0.55) HDAC6QRFPRKCNH2CYP2D6KCNE1
SCHEMBL7868061 0.80 HDAC6 (0.57) HDAC6QRFPRKCNH2CYP2D6KCNE1
SCHEMBL12883087 0.77 HDAC6 (0.60) HDAC6QRFPRKCNH2CYP2D6KCNE1
SCHEMBL1173979 0.76 HDAC6 (0.66) HDAC6PRMT5WDR77KDM1A
SCHEMBL7867739 0.75 HDAC6 (0.41) HDAC6QRFPRKCNH2CYP2D6KCNE1
SCHEMBL7865255 0.74 HDAC6 (0.40) HDAC6QRFPRKCNH2CYP2D6KCNE1
SCHEMBL1174737 0.74 HDAC6 (1.00) HDAC6PRMT5WDR77KDM1A
SCHEMBL1173939 0.74 HDAC6 (0.55) HDAC6QRFPRKCNH2CYP2D6KCNE1

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
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 — — WO disclosed
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