SCHEMBL28316752

SCHEMBL28316752

O=C(Nc1cc(NC(=O)C(F)(F)F)c(F)cc1F)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
GRIK1 P39086 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
MAPK14 Q16539 2/20 0.49
HDAC2 Q92769 2/20 0.49
MDM4 O15151 1/20 0.49
TP53 P04637 1/20 0.49
HDAC3 O15379 1/20 0.49
MAPK1 P28482 1/20 0.49
P2RX1 P51575 1/20 0.48
ABCB1 P08183 1/20 0.47
ABCC9 O60706 1/20 0.47

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
SCHEMBL28317696 0.87 MEN1 (0.51) HDAC1HDAC6MEN1KMT2AMAPT
SCHEMBL28316809 0.85 KMT2A (0.58) HDAC8HDAC6MEN1KMT2AMAPT
SCHEMBL21178187 0.84 HDAC1 (0.64) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL28317707 0.80 POLB (0.54) HDAC1MEN1KMT2AMAPTPKM
SCHEMBL30739953 0.79 HDAC1 (0.55) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL28316791 0.79 POLB (0.57) HDAC1MEN1KMT2AMAPTRAB9A
SCHEMBL28317659 0.78 HDAC1 (0.49) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL28316754 0.78 HDAC1 (0.46) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL6782460 0.78 HDAC1 (0.68) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL30739646 0.78 HDAC1 (0.54) HDAC1HDAC8HDAC6MEN1KMT2A

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
CN-110072842-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2019-07-30 CN disclosed