SCHEMBL23728955

SCHEMBL23728955

COC(=O)CCNC(=O)c1cc(Nc2nc(C(N)CCNC(=O)OC(C)(C)C)cn2C)cn1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.35
HRAS P01112 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
P2RX3 P56373 1/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HIF1A Q16665 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 2/20 0.33
GLA P06280 1/20 0.33
MC4R P32245 1/20 0.32
CACNA1G O43497 2/20 0.32
SUV39H2 Q9H5I1 1/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 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
SCHEMBL23728952 0.92 P2RX3 (0.35) TOP1HRASESR1ESR2P2RX3
SCHEMBL23728900 0.91 MC4R (0.35) TOP1HRASESR1ESR2MAPT
SCHEMBL23728949 0.89 MEN1 (0.33) TOP1HRASESR1ESR2MAPT
SCHEMBL23728911 0.89 MEN1 (0.33) TOP1HRASESR1ESR2MAPT
SCHEMBL23728934 0.86 KDM4E (0.33) MAPTKDM4EMC4RNPSR1STING1
SCHEMBL23728958 0.86 KDM4E (0.33) MAPTKDM4EMC4RNPSR1STING1
SCHEMBL23728963 0.85 P2RX3 (0.34) TOP1HRASESR1ESR2P2RX3
SCHEMBL23728954 0.85 TOP1 (0.34) TOP1HRASESR1ESR2P2RX3
SCHEMBL23728901 0.85 TOP1 (0.33) TOP1HRASESR1ESR2MAPT
SCHEMBL23728929 0.82 GAA (0.36) MAPTKDM4EHIF1AALDH1A1HPGD

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