SCHEMBL18725293

SCHEMBL18725293

NC(=O)C[C@H](N)C(=O)C1CC(=O)N(OC(=O)CCSSc2ccccn2)C1=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HDAC1 Q13547 4/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC4 P56524 2/20 0.31
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
SCHEMBL2221792 0.88 POLB (0.39) POLBALDH1A1HDAC1HDAC2HDAC4
SCHEMBL5499529 0.80 ALDH1A1 (0.39) POLBALDH1A1HDAC1HDAC2HDAC4
SCHEMBL13221627 0.80 ALDH1A1 (0.38) POLBALDH1A1HDAC1HDAC2HDAC4
SCHEMBL5485914 0.77 ALDH1A1 (0.36) POLBALDH1A1HDAC1HDAC2HDAC4
SCHEMBL30367749 0.77 ALDH1A1 (0.36) POLBALDH1A1HDAC1HDAC2HDAC4
SCHEMBL29352062 0.76 ALDH1A1 (0.44) ALDH1A1HDAC1HDAC2
SCHEMBL42368 0.76 ALDH1A1 (0.44) ALDH1A1HDAC1HDAC2
SCHEMBL12533282 0.74 ALDH1A1 (0.40) ALDH1A1HDAC1HDAC2
SCHEMBL13252991 0.73 ALDH1A1 (0.43) ALDH1A1HDAC1HDAC2
SCHEMBL10340343 0.73 ALDH1A1 (0.45) POLBALDH1A1HDAC1HDAC2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4147046-A1 HIGH IONIC STRENGTH DISSOCIATION ASSAY FOR HIGH DRUG TOLERANT TESTING F. Hoffmann-La Roche AG (CH) 2023-03-15 EP disclosed
WO-2021224360-A1 HIGH IONIC STRENGTH DISSOCIATION ASSAY FOR HIGH DRUG TOLERANT TESTING F. HOFFMANN-LA ROCHE AG (CH) 2021-11-11 WO disclosed
WO-2021136772-A1 METHOD FOR DETERMINING THE AMOUNT OF A THERAPEUTIC ANTIBODY IN THE BRAIN F. HOFFMANN-LA ROCHE AG (CH) 2021-07-08 WO disclosed
EP-3156418-A1 ANTI-EPHB4 ANTIBODIES AND METHODS USING SAME Genentech, Inc. (US) 2017-04-19 EP disclosed