SCHEMBL25830402

SCHEMBL25830402

CC1(C)C(=O)N(Cc2c(F)cccc2Cl)c2cc(C(=O)NCc3c(F)cc(C#CC(=O)O)cc3F)ccc21

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 4/20 0.79
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 4/20 0.42
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL25832053 0.90 STING1 (0.84) STING1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL21990159 0.90 STING1 (0.93) STING1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL25831968 0.88 STING1 (0.87) STING1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL20594650 0.88 STING1 (1.00) STING1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL25831445 0.88 STING1 (0.69) STING1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL25809775 0.87 STING1 (0.87) STING1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL25830558 0.86 STING1 (0.68) STING1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL25830766 0.85 STING1 (0.63) STING1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL25831175 0.85 STING1 (0.65) STING1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL25830557 0.84 STING1 (0.63) STING1SMN1; SMN2MAPTALDH1A1LMNA

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