SCHEMBL25830691

SCHEMBL25830691

CCOC(=O)C1CCN(CCNC(=O)C#Cc2cc(F)c(CNC(=O)c3ccc4c(c3)N(Cc3c(F)cccc3Cl)C(=O)C4(C)C)c(F)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 4/20 0.60
SMN1; SMN2 Q16637 5/20 0.47
KDM4E B2RXH2 2/20 0.47
TSHR P16473 2/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
ACHE P22303 1/20 0.38
TP53 P04637 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL25830766 0.92 STING1 (0.63) STING1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL25830558 0.82 STING1 (0.68) STING1SMN1; SMN2KMT2AALDH1A1NPBWR1
SCHEMBL25831445 0.82 STING1 (0.69) STING1SMN1; SMN2KMT2AALDH1A1NPBWR1
SCHEMBL25830402 0.81 STING1 (0.79) STING1SMN1; SMN2KMT2AALDH1A1TP53
SCHEMBL25831175 0.81 STING1 (0.65) STING1SMN1; SMN2KMT2AALDH1A1NPBWR1
SCHEMBL25831112 0.81 STING1 (0.63) STING1SMN1; SMN2KMT2AALDH1A1NPBWR1
SCHEMBL25830557 0.80 STING1 (0.63) STING1SMN1; SMN2KMT2AALDH1A1NPBWR1
SCHEMBL25832053 0.78 STING1 (0.84) STING1SMN1; SMN2KMT2AALDH1A1TP53
SCHEMBL21990159 0.78 STING1 (0.93) STING1SMN1; SMN2KMT2AALDH1A1TP53
SCHEMBL20594650 0.77 STING1 (1.00) STING1SMN1; SMN2KMT2AALDH1A1TP53

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