SCHEMBL9520873

SCHEMBL9520873

Cn1c(C(F)(F)F)cc(=O)n(-c2cc(C(=O)OCC3COCO3)c(Cl)cc2F)c1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 2/20 0.32
GUSB P08236 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
BAZ2B Q9UIF8 1/20 0.30
BAZ2A Q9UIF9 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
SCHEMBL10410194 0.94 MEN1 (0.35) MEN1KMT2AGAAGUSBLMNA
SCHEMBL9523079 0.90 MEN1 (0.33) MEN1KMT2AGAAGUSBLMNA
SCHEMBL9523236 0.86 TP53 (0.38) MEN1KMT2AGAALMNAMAPT
SCHEMBL9521366 0.86 HTR3A (0.31) MAPT
SCHEMBL26942676 0.86
SCHEMBL26942545 0.86 PPOX (0.32) LMNAMAPTHPGDSMN1; SMN2
SCHEMBL10410416 0.85 HTR7 (0.39) MEN1KMT2AGAALMNA
SCHEMBL9520570 0.85 GAA (0.37) GAALMNAMAPTHPGDSMN1; SMN2
SCHEMBL26942736 0.85
SCHEMBL6336900 0.83 BAZ2B (0.46) GAAGUSBLMNAMAPTHPGD

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-0323487-B1 HETEROCYCLIC COMPOUNDS CIBA-GEIGY AG (CH) 1993-03-31 EP claimed
US-4941909-A HERBICIDES, PYRIMIDONE BENZOATES HOFFMANN-LA ROCHE INC. (US) 1990-07-17 US disclosed