SCHEMBL29698579

SCHEMBL29698579

CNC(=O)C(C)(C)CC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3C2A O00443 1/20 0.35
PIK3C2B O00750 1/20 0.35
RPS6KA4 O75676 1/20 0.35
CYP3A4 P08684 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
STK17A Q9UEE5 1/20 0.35
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL14877799 0.85
SCHEMBL12949585 0.80 POLB (0.31) POLB
SCHEMBL31581649 0.79 MEN1 (0.30)
SCHEMBL27267138 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL24286994 0.77
SCHEMBL14155560 0.76 GRM4 (0.33)
SCHEMBL23161062 0.76
SCHEMBL21432249 0.76
SCHEMBL24000070 0.76
SCHEMBL16622303 0.76 CA2 (0.35)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247492-A1 MALT-1 MODULATORS Exscientia Al Limited (GB) 2023-09-27 EP disclosed
WO-2022106857-A1 MALT-1 MODULATORS Exscientia Limited (GB) 2022-05-27 WO disclosed