SCHEMBL2227494

SCHEMBL2227494

N#Cc1cnccc1C1CN(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 9/20 0.46
HDAC6 Q9UBN7 4/20 0.46
HDAC8 Q9BY41 2/20 0.45
GRM5 P41594 10/20 0.45
HDAC2 Q92769 1/20 0.41

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
SCHEMBL2227597 0.92 HDAC4 (0.48) HDAC4HDAC6HDAC8HDAC2
SCHEMBL2227491 0.84 HDAC4 (0.46) HDAC4HDAC6HDAC8GRM5HDAC2
SCHEMBL2227092 0.81 HDAC6 (0.47) HDAC4HDAC6HDAC8GRM5HDAC2
SCHEMBL2227593 0.78 HDAC4 (0.48) HDAC4HDAC6HDAC8HDAC2
SCHEMBL2224982 0.77 HDAC4 (0.57) HDAC4HDAC6HDAC8HDAC2
SCHEMBL2226069 0.76 KDM4E (0.55) HDAC4HDAC6HDAC8HDAC2
SCHEMBL2224359 0.75 PDK1 (0.49) HDAC4HDAC6HDAC8GRM5HDAC2
SCHEMBL2227516 0.75 FASN (0.49) HDAC4HDAC6HDAC8HDAC2
SCHEMBL2227381 0.74 HDAC4 (0.67) HDAC4HDAC6HDAC8HDAC2
SCHEMBL2225388 0.74 HDAC4 (0.63) HDAC4HDAC6HDAC8HDAC2

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