SCHEMBL23967784

SCHEMBL23967784

CN(c1ccc([SH](C)(C)(C)C)cc1)c1cccc2c1oc1c(C(F)(F)F)cccc12

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL21020302 0.86 NR1H2 (0.33) HDAC6
SCHEMBL21020300 0.86 EPHX2 (0.40) HDAC6
SCHEMBL21020294 0.86 HDAC6 (0.32) HDAC6
SCHEMBL21020299 0.85 EPHX2 (0.32) HDAC6
SCHEMBL21020295 0.84 EPHX2 (0.34) HDAC6
SCHEMBL21020298 0.82 KDM4C (0.36) HDAC6
SCHEMBL21020303 0.82 HDAC6 (0.33) HDAC6
SCHEMBL23967875 0.82 MCL1 (0.33)
SCHEMBL21020297 0.81 ACP1 (0.36)
SCHEMBL21020296 0.81 ABCG2 (0.36) HDAC6

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