SCHEMBL14672201

SCHEMBL14672201

CC(C)(CNN=N)c1coc(-c2ccc(F)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.35
PDE4B Q07343 3/20 0.33
MEN1 O00255 1/20 0.32
NOTUM Q6P988 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL2223392 0.78 HDAC1 (0.41) LMNAHDAC1HDAC8HDAC6HDAC4
SCHEMBL12517097 0.73 HDAC8 (0.40) LMNAHDAC1HDAC8HDAC6HDAC4
SCHEMBL2275210 0.73 HDAC8 (0.40) LMNAHDAC1HDAC8HDAC6HDAC4
SCHEMBL2275217 0.73 HDAC8 (0.40) LMNAHDAC1HDAC8HDAC6HDAC4
SCHEMBL2267220 0.73 HDAC8 (0.42) LMNAHDAC1HDAC8HDAC6HDAC4
SCHEMBL12518546 0.71 HDAC8 (0.40) LMNAHDAC1HDAC8HDAC6HDAC4
SCHEMBL2267431 0.71 HDAC8 (0.40) LMNAHDAC1HDAC8HDAC6HDAC4
SCHEMBL2267435 0.71 HDAC8 (0.40) LMNAHDAC1HDAC8HDAC6HDAC4
SCHEMBL2271369 0.71 ALDH1A1 (0.36) LMNAHDAC1HDAC8HDAC6HDAC4
SCHEMBL2222330 0.71 HDAC1 (0.46) LMNAHDAC1HDAC8HDAC6KMT2A

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-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed