SCHEMBL30125614

SCHEMBL30125614

CCOC(=O)c1nc(NC(=O)c2cc(NC(=O)CCCNC(=O)OC(C)(C)C)cn2C)cn1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ERBB2 P04626 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RPS6KA3 P51812 1/20 0.38
P2RY12 Q9H244 1/20 0.38
EP300 Q09472 3/20 0.37
TOP1 P11387 1/20 0.37
WDR5 P61964 1/20 0.37
STING1 Q86WV6 4/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL4100605 0.95 HDAC1 (0.46) HDAC1HDAC2HDAC8CA1CA2
SCHEMBL30125591 0.92 HDAC1 (0.57) HDAC1HDAC2HDAC8CA1CA2
SCHEMBL30125623 0.89 HDAC1 (0.54) HDAC1HDAC2HDAC8CA1CA2
SCHEMBL24510766 0.89 CA1 (0.44) HDAC1HDAC2HDAC8CA1CA2
SCHEMBL30125589 0.88 HDAC1 (0.53) HDAC1HDAC2HDAC8ERBB2KDM4E
SCHEMBL23728675 0.88 HDAC1 (0.53) HDAC1HDAC2HDAC8ERBB2KDM4E
SCHEMBL5004528 0.88 P2RY12 (0.43) HDAC1HDAC2HDAC8ERBB2KDM4E
SCHEMBL30125597 0.87 HDAC1 (0.49) HDAC1HDAC2HDAC8ERBB2KDM4E
SCHEMBL4015028 0.87 P2RY12 (0.44) HDAC1HDAC2HDAC8ERBB2KDM4E
SCHEMBL24510762 0.86 HDAC1 (0.48) HDAC1HDAC2HDAC8CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384506-A1 PROCESS FOR POLYAMIDE SYNTHESIS Design Therapeutics, Inc. (US) 2024-06-19 EP disclosed
WO-2023014793-A1 PROCESS FOR POLYAMIDE SYNTHESIS Design Therapeutics, Inc. (US) 2023-02-09 WO disclosed