SCHEMBL25831968

SCHEMBL25831968

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

nearest known ligand 0.87

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 4/20 0.87
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 3/20 0.47
CPT2 P23786 1/20 0.46
CPT1A P50416 1/20 0.46
CPT1B Q92523 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 4/20 0.45
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42

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
SCHEMBL21990159 0.95 STING1 (0.93) STING1SMN1; SMN2MAPTCPT2CPT1A
SCHEMBL20594650 0.93 STING1 (1.00) STING1SMN1; SMN2MAPTCPT2CPT1A
SCHEMBL25809775 0.91 STING1 (0.87) STING1SMN1; SMN2MAPTCPT2CPT1A
SCHEMBL25832053 0.90 STING1 (0.84) STING1SMN1; SMN2MAPTCPT2CPT1A
SCHEMBL22043972 0.89 STING1 (0.73) STING1SMN1; SMN2MAPTCPT2CPT1A
SCHEMBL25830402 0.88 STING1 (0.79) STING1SMN1; SMN2MAPTCPT2CPT1A
SCHEMBL21990119 0.88 STING1 (0.80) STING1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL21990136 0.87 STING1 (0.82) STING1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL21989983 0.86 STING1 (0.88) STING1SMN1; SMN2MAPTCPT2CPT1A
SCHEMBL21990017 0.86 STING1 (0.84) STING1SMN1; SMN2MAPTCPT2CPT1A

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