SCHEMBL23967665

SCHEMBL23967665

CC(C)(C)c1ccccc1N(I)c1cccc2c1sc1c(C(F)(F)F)cccc12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
KIF11 P52732 2/20 0.31
ACP1 P24666 1/20 0.30

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
SCHEMBL20649761 0.95 KIF11 (0.31) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20650237 0.92 KIF11 (0.34) KIF11
SCHEMBL20650343 0.92 KIF11 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20650207 0.86 KIF11 (0.31) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20650337 0.85 KIF11 (0.32) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20650374 0.85 GABRA1 (0.36) KIF11
SCHEMBL20172918 0.85 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20650282 0.85 GPR3 (0.37) KIF11
SCHEMBL20650365 0.84 KIF11 (0.31) KIF11ACP1
SCHEMBL20650203 0.83 NR3C1 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2

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
EP-3428152-B1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2021-11-03 EP disclosed