SCHEMBL14918538

SCHEMBL14918538

O=C(CCCc1noc(C(F)(F)F)n1)Nc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
HDAC4 P56524 4/20 0.55
HDAC6 Q9UBN7 4/20 0.55
POLB P06746 3/20 0.53
USP2 O75604 1/20 0.53
HDAC1 Q13547 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KLF5 Q13887 1/20 0.50
NOTUM Q6P988 1/20 0.46

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
SCHEMBL14918429 0.97 HDAC4 (0.54) LMNAHDAC4HDAC6POLBUSP2
SCHEMBL14918567 0.96 HDAC4 (0.56) LMNAHDAC4HDAC6POLBUSP2
SCHEMBL14918877 0.96 HDAC4 (0.56) LMNAHDAC4HDAC6POLBUSP2
SCHEMBL14919138 0.96 HDAC4 (0.56) LMNAHDAC4HDAC6POLBUSP2
SCHEMBL14918892 0.93 HDAC4 (0.57) LMNAHDAC4HDAC6POLBUSP2
SCHEMBL14918778 0.86 HDAC6 (0.41) LMNAHDAC4HDAC6POLBUSP2
SCHEMBL14934811 0.84 HDAC1 (0.52) LMNAHDAC4HDAC6HDAC1HDAC8
SCHEMBL14934868 0.83 HDAC1 (0.54) LMNAHDAC4HDAC6HDAC1HDAC8
SCHEMBL14934891 0.83 HDAC1 (0.54) LMNAHDAC4HDAC6HDAC1HDAC8
SCHEMBL14934718 0.83 HDAC1 (0.54) LMNAHDAC4HDAC6HDAC1HDAC8

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