SCHEMBL14918778

SCHEMBL14918778

O=C(CCCc1noc(C(F)(F)F)n1)Nc1cncnc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
LMNA P02545 5/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
USP2 O75604 1/20 0.40
HDAC4 P56524 5/20 0.39
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KLF5 Q13887 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL14918566 0.96 HDAC6 (0.41) HDAC6HDAC1HDAC8LMNAMAPT
SCHEMBL14918852 0.95 HDAC1 (0.40) HDAC6HDAC1HDAC8LMNAMAPT
SCHEMBL14918996 0.95 HDAC1 (0.40) HDAC6HDAC1HDAC8LMNAMAPT
SCHEMBL14918434 0.95 HDAC1 (0.40) HDAC6HDAC1HDAC8LMNAMAPT
SCHEMBL14918963 0.93 HDAC6 (0.43) HDAC6HDAC1HDAC8LMNAMAPT
SCHEMBL14918538 0.86 LMNA (0.56) HDAC6HDAC1HDAC8LMNAUSP2
SCHEMBL14918878 0.83 HDAC6 (0.48) HDAC6HDAC1HDAC8LMNAMAPT
SCHEMBL14918429 0.83 HDAC4 (0.54) HDAC6HDAC1HDAC8LMNAUSP2
SCHEMBL14918877 0.82 HDAC4 (0.56) HDAC6HDAC1HDAC8LMNAUSP2
SCHEMBL14918567 0.82 HDAC4 (0.56) HDAC6HDAC1HDAC8LMNAUSP2

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
WO-2013066836-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO claimed
WO-2013066836-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed