SCHEMBL23728901

SCHEMBL23728901

Cn1cc(Nc2nc(C(N)CCNC(=O)c3cc(Nc4nc(NC(=O)OC(C)(C)C)cn4C)cn3C)cn2C)cc1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.33
HRAS P01112 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HIF1A Q16665 1/20 0.32
SCD O00767 1/20 0.31
MC4R P32245 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
ACHE P22303 1/20 0.30
BACE1 P56817 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
P2RX7 Q99572 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
SCHEMBL23728922 0.94 HDAC1 (0.32) TOP1HRASESR1ESR2KDM4E
SCHEMBL23728900 0.93 MC4R (0.35) TOP1HRASESR1ESR2KDM4E
SCHEMBL23728963 0.93 P2RX3 (0.34) TOP1HRASESR1ESR2KDM4E
SCHEMBL23728897 0.89 RPS6KA3 (0.33) KDM4EMAPTHDAC1HDAC2HDAC8
SCHEMBL23728911 0.88 MEN1 (0.33) TOP1HRASESR1ESR2KDM4E
SCHEMBL23728949 0.88 MEN1 (0.33) TOP1HRASESR1ESR2KDM4E
SCHEMBL23728952 0.86 P2RX3 (0.35) TOP1HRASESR1ESR2KDM4E
SCHEMBL28984133 0.85 HDAC1 (0.42) TOP1HRASESR1ESR2KDM4E
SCHEMBL23728955 0.85 TOP1 (0.35) TOP1HRASESR1ESR2KDM4E
SCHEMBL23728864 0.83 TOP1 (0.33) TOP1HRASESR1ESR2KDM4E

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-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
EP-4100404-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2022-12-14 EP disclosed
WO-2021158707-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2021-08-12 WO disclosed