SCHEMBL11358247

SCHEMBL11358247

CC(=O)N[C@@H](CC1CC=CS1)C(=O)NCCc1c[nH]cn1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
HDAC1 Q13547 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
SCHEMBL7644955 0.80 MMP3 (0.43)
SCHEMBL7644948 0.80 MMP3 (0.43)
SCHEMBL19051467 0.79 GNPAT (0.36) KMT2AHDAC1
SCHEMBL8066528 0.79 KMT2A (0.35) KMT2AHDAC1
SCHEMBL11308674 0.77 SIRT5 (0.35) KMT2A
SCHEMBL11332268 0.75 SRC (0.37) KMT2A
SCHEMBL18381413 0.75 HDAC1 (0.40) KMT2AHDAC1
SCHEMBL11317581 0.75 SIRT6 (0.50) KMT2A
SCHEMBL11327124 0.74 CTSS (0.35)
SCHEMBL11316379 0.73 KDM4E (0.33)

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
US-4310517-A Tumor-resolving and histolytic medicaments and their use TROPONWERKE GMBH & CO., KG (DE) 1982-01-12 US disclosed