SCHEMBL23728952

SCHEMBL23728952

COC(=O)c1cc(Nc2nc(C(N)CCNC(=O)c3cc(Nc4nc(C(N)CCNC(=O)OC(C)(C)C)cn4C)cn3C)cn2C)cn1C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.35
MC4R P32245 1/20 0.33
TOP1 P11387 2/20 0.32
HRAS P01112 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
STING1 Q86WV6 2/20 0.32
KCNA5 P22460 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HIF1A Q16665 1/20 0.32
CSNK1D P48730 1/20 0.31
DRD2 P14416 1/20 0.31
SUV39H2 Q9H5I1 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
SCHEMBL23728963 0.94 P2RX3 (0.34) P2RX3TOP1HRASESR1ESR2
SCHEMBL23728900 0.92 MC4R (0.35) MC4RTOP1HRASESR1ESR2
SCHEMBL23728955 0.92 TOP1 (0.35) P2RX3MC4RTOP1HRASESR1
SCHEMBL23728949 0.90 MEN1 (0.33) MC4RTOP1HRASESR1ESR2
SCHEMBL23728911 0.90 MEN1 (0.33) MC4RTOP1HRASESR1ESR2
SCHEMBL23728958 0.89 KDM4E (0.33) MC4RSTING1KDM4EMAPT
SCHEMBL23728934 0.89 KDM4E (0.33) MC4RSTING1KDM4EMAPT
SCHEMBL23728901 0.86 TOP1 (0.33) MC4RTOP1HRASESR1ESR2
SCHEMBL23728922 0.84 HDAC1 (0.32) TOP1HRASESR1ESR2KDM4E
SCHEMBL23728917 0.83 P2RX3 (0.34) P2RX3TOP1HRASESR1ESR2

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-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