SCHEMBL2226211

SCHEMBL2226211

O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCN(c2snc3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 10/20 0.55
HDAC4 P56524 9/20 0.55
HDAC6 Q9UBN7 4/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC7 Q8WUI4 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL13718986 0.84 HDAC4 (0.55) MGLLHDAC4HDAC6HDAC8HDAC2
SCHEMBL6912908 0.80 LMNA (0.57) MGLLHDAC4HDAC6HDAC8HDAC2
SCHEMBL2228116 0.80 HDAC4 (0.60) MGLLHDAC4HDAC6HDAC8HDAC2
SCHEMBL2223637 0.80 ALDH1A1 (0.61) MGLLHDAC4HDAC6HDAC8HDAC2
SCHEMBL2227129 0.80 HDAC4 (0.71) MGLLHDAC4HDAC6HDAC8HDAC2
SCHEMBL6914969 0.80 MGLL (0.65) MGLLHDAC4HDAC6HDAC8HDAC2
SCHEMBL2226604 0.80 SLC6A7 (0.62) MGLLHDAC4HDAC6HDAC8HDAC2
SCHEMBL2223611 0.79 HDAC4 (0.59) HDAC4HDAC6HDAC8HDAC2
SCHEMBL2227381 0.79 HDAC4 (0.67) MGLLHDAC4HDAC6HDAC8HDAC2
SCHEMBL2224997 0.78 HDAC4 (0.66) MGLLHDAC4HDAC6HDAC8HDAC2

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
EP-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed