SCHEMBL2227593

SCHEMBL2227593

N#Cc1cccnc1C1CCN(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 10/20 0.48
HDAC6 Q9UBN7 4/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC2 Q92769 1/20 0.44
FASN P49327 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MGLL Q99685 1/20 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
SCHEMBL2227491 0.92 HDAC4 (0.46) HDAC4HDAC6HDAC8HDAC2
SCHEMBL2227597 0.85 HDAC4 (0.48) HDAC4HDAC6HDAC8HDAC2
SCHEMBL2226069 0.85 KDM4E (0.55) HDAC4HDAC6HDAC8HDAC2
SCHEMBL2227516 0.82 FASN (0.49) HDAC4HDAC6HDAC8HDAC2FASN
SCHEMBL2224982 0.81 HDAC4 (0.57) HDAC4HDAC6HDAC8HDAC2MGLL
SCHEMBL2227494 0.78 HDAC4 (0.46) HDAC4HDAC6HDAC8HDAC2
SCHEMBL2226604 0.78 SLC6A7 (0.62) HDAC4HDAC6HDAC8HDAC2MGLL
SCHEMBL2223596 0.77 HDAC4 (0.52) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL2228753 0.77 HDAC4 (0.56) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL2228781 0.76 HSD11B1 (0.63) HDAC4HDAC6HDAC8HDAC2MGLL

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-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed