SCHEMBL25810777

SCHEMBL25810777

CCCCNC(=O)CCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.61
HDAC2 Q92769 2/20 0.61
HDAC8 Q9BY41 2/20 0.61
ERBB2 P04626 4/20 0.44
NR3C1 P04150 10/20 0.41
TOP1 P11387 2/20 0.40
HRAS P01112 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
EP300 Q09472 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL30125594 0.95 HDAC1 (0.59) HDAC1HDAC2HDAC8ERBB2NR3C1
SCHEMBL25805949 0.92 HDAC1 (0.57) HDAC1HDAC2HDAC8ERBB2NR3C1
SCHEMBL25701096 0.92 HDAC1 (0.62) HDAC1HDAC2HDAC8ERBB2NR3C1
SCHEMBL25248804 0.91 HDAC1 (0.59) HDAC1HDAC2HDAC8ERBB2NR3C1
SCHEMBL23728545 0.91 HDAC1 (0.61) HDAC1HDAC2HDAC8ERBB2NR3C1
SCHEMBL19423270 0.91 HDAC1 (0.61) HDAC1HDAC2HDAC8ERBB2NR3C1
SCHEMBL25212056 0.91 HDAC1 (0.60) HDAC1HDAC2HDAC8ERBB2NR3C1
SCHEMBL23728852 0.91 HDAC1 (0.58) HDAC1HDAC2HDAC8ERBB2NR3C1
SCHEMBL30693805 0.91 HDAC1 (0.58) HDAC1HDAC2HDAC8ERBB2NR3C1
SCHEMBL23718079 0.90 HDAC1 (0.65) HDAC1HDAC2HDAC8ERBB2NR3C1

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-2023133284-A2 COMPOUNDS AND METHODS FOR TREATING FRIEDREICH'S ATAXIA Design Therapeutics, Inc. (US) 2023-07-13 WO disclosed