SCHEMBL25830940

SCHEMBL25830940

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 4/20 0.37
MAPT P10636 2/20 0.35
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 1/20 0.34
CYP2C19 P33261 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 0.87 STING1 (0.68) STING1SMN1; SMN2TP53MAPTROCK2
SCHEMBL25830922 0.81 STING1 (0.37) STING1SMN1; SMN2TP53MAPTLMNA
SCHEMBL25830557 0.79 STING1 (0.63) STING1SMN1; SMN2TP53MAPTROCK2
SCHEMBL25830944 0.78 STING1 (0.35) STING1TP53MAPT
SCHEMBL25831175 0.75 STING1 (0.65) STING1SMN1; SMN2TP53MAPTALDH1A1
SCHEMBL25831445 0.75 STING1 (0.69) STING1SMN1; SMN2TP53MAPTALDH1A1
SCHEMBL25831112 0.74 STING1 (0.63) STING1SMN1; SMN2TP53MAPTROCK2
SCHEMBL25830766 0.73 STING1 (0.63) STING1SMN1; SMN2TP53MAPTACHE
SCHEMBL25830402 0.73 STING1 (0.79) STING1SMN1; SMN2TP53MAPTROCK2
SCHEMBL22043976 0.72 SLC22A12 (0.50) STING1SMN1; SMN2TP53MAPTACHE

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