SCHEMBL2221963

SCHEMBL2221963

NC(=O)C(CCc1noc(C(F)(F)F)n1)CC1(c2nc(-c3ccccc3)cs2)CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.56
HDAC7 Q8WUI4 3/20 0.56
HDAC8 Q9BY41 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
HDAC9 Q9UKV0 3/20 0.56
HDAC5 Q9UQL6 3/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
KCNH2 Q12809 1/20 0.40
DPP4 P27487 5/20 0.34
DPP8 Q6V1X1 3/20 0.34
DPP9 Q86TI2 3/20 0.34
DPP7 Q9UHL4 3/20 0.34
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL12517323 0.79 HDAC4 (0.66) HDAC4HDAC7HDAC8HDAC6HDAC9
SCHEMBL2222017 0.79 HDAC4 (0.43) HDAC4HDAC7HDAC8HDAC6HDAC9
SCHEMBL13822292 0.78 KCNH2 (0.45) HDAC4HDAC7HDAC8HDAC6HDAC9
SCHEMBL13822291 0.78 KCNH2 (0.45) HDAC4HDAC7HDAC8HDAC6HDAC9
SCHEMBL29349803 0.71 HDAC4 (1.00) HDAC4HDAC7HDAC8HDAC6HDAC9
SCHEMBL6976560 0.71 HDAC4 (1.00) HDAC4HDAC7HDAC8HDAC6HDAC9
SCHEMBL6977145 0.71 HDAC4 (0.65) HDAC4HDAC7HDAC8HDAC6HDAC9
SCHEMBL2229666 0.70 HDAC4 (0.73) HDAC4HDAC7HDAC8HDAC6HDAC9
SCHEMBL6976778 0.70 HDAC4 (0.75) HDAC4HDAC7HDAC8HDAC6HDAC9
SCHEMBL14603593 0.70 HDAC6 (0.59) HDAC4HDAC7HDAC8HDAC6HDAC9

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
WO-2013009812-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC (US) 2013-01-17 WO disclosed
EP-2523560-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
WO-2011088187-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed