SCHEMBL20635876

SCHEMBL20635876

CCOC(=O)C1NCCc2c1c1cc(OCCI)ccc1n2Cc1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PLA2G2A P14555 1/20 0.35

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
SCHEMBL20629339 0.88 HDAC2 (0.49) —
SCHEMBL20605349 0.85 HDAC6 (0.44) —
SCHEMBL20629473 0.79 HDAC2 (0.49) —
SCHEMBL20629509 0.78 HDAC2 (0.46) —
SCHEMBL20628946 0.76 HDAC6 (0.41) —
SCHEMBL20628955 0.75 HDAC6 (0.47) —
Hydrochloric Acid SCHEMBL20605300 0.75 HDAC6 (0.46) —
SCHEMBL17520651 0.69 HDAC6 (0.64) —
SCHEMBL17520600 0.69 HDAC6 (0.64) —
SCHEMBL19139014 0.68 HDAC6 (0.66) —

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
WO-2019007836-A1 NOVEL HDAC6 INHIBITORS, WITH IMPROVED SOLUBILITY AND THEIR USES UNIVERSITÄT REGENSBURG (DE) 2019-01-10 — — WO disclosed
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