SCHEMBL25830557

SCHEMBL25830557

CC(C)(C)OC(=O)NCCOCCNC(=O)C#Cc1cc(F)c(CNC(=O)c2ccc3c(c2)N(Cc2c(F)cccc2Cl)C(=O)C3(C)C)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 4/20 0.63
TP53 P04637 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL25830558 0.92 STING1 (0.68) STING1TP53SMN1; SMN2MAPTALDH1A1
SCHEMBL25831112 0.85 STING1 (0.63) STING1TP53SMN1; SMN2MAPTALDH1A1
SCHEMBL25831445 0.85 STING1 (0.69) STING1TP53SMN1; SMN2MAPTALDH1A1
SCHEMBL25831175 0.85 STING1 (0.65) STING1TP53SMN1; SMN2MAPTALDH1A1
SCHEMBL25830402 0.84 STING1 (0.79) STING1TP53SMN1; SMN2MAPTALDH1A1
SCHEMBL25830766 0.81 STING1 (0.63) STING1TP53SMN1; SMN2MAPTALDH1A1
SCHEMBL25832053 0.81 STING1 (0.84) STING1TP53SMN1; SMN2MAPTALDH1A1
SCHEMBL21990159 0.80 STING1 (0.93) STING1TP53SMN1; SMN2MAPTALDH1A1
SCHEMBL25830940 0.79 STING1 (0.49) STING1TP53SMN1; SMN2MAPTALDH1A1
SCHEMBL20594650 0.79 STING1 (1.00) STING1TP53SMN1; SMN2MAPTALDH1A1

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-2023122298-A1 PROTEIN STABILIZING COMPOUNDS CONTAINING USP28 AND/OR USP25 TARGETING LIGANDS Stablix, Inc. (US) 2023-06-29 WO disclosed