SCHEMBL29348331

SCHEMBL29348331

CC(C)(C)OC(=O)C(C#N)c1cccc(Br)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.36
CTSK P43235 5/20 0.36
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.35
CTSB P07858 2/20 0.35
CTSL P07711 2/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
APP P05067 1/20 0.32
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL30920991 0.79 LMNA (0.38) CTSSCTSKKMT2ALMNACTSL
SCHEMBL22904099 0.78 LMNA (0.39) CTSSCTSKKMT2ALMNACTSB
SCHEMBL29348328 0.77 CTSS (0.35) CTSSCTSKKMT2ACTSBCTSL
SCHEMBL31068163 0.77 CTSS (0.35) CTSSCTSKKMT2ACTSBCTSL
SCHEMBL15268526 0.75 CTSS (0.41) CTSSCTSKKMT2ACTSBCTSL
SCHEMBL26633408 0.73 CTSS (0.43) CTSSCTSKKMT2ACTSBMEN1
SCHEMBL21656168 0.73 CTSL (0.43) CTSSCTSKKMT2ALMNACTSB
SCHEMBL22904302 0.72 TBXA2R (0.37) CTSSCTSKCTSBGAA
SCHEMBL630897 0.72 CTSS (0.36) CTSSCTSKKMT2ALMNACTSL
SCHEMBL24548383 0.72 CTSK (0.41) CTSSCTSKKMT2ALMNACTSB

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-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed