SCHEMBL4591850

SCHEMBL4591850

O=C(O)Cn1cccc(C(F)(F)F)c1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
RXFP1 Q9HBX9 2/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
RECQL P46063 1/20 0.45
KDM4E B2RXH2 3/20 0.44
TP53 P04637 2/20 0.41
GRIK1 P39086 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
GRIK2 Q13002 1/20 0.40
GRIK3 Q13003 1/20 0.40
GRIK4 Q16099 1/20 0.40
GRIK5 Q16478 1/20 0.40

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
SCHEMBL2824082 0.81 MAPT (0.58) MAPTRXFP1POLBKMT2AALDH1A1
SCHEMBL2825783 0.79 MAPT (0.55) MAPTRXFP1POLBALDH1A1KDM4E
SCHEMBL26817055 0.79 MAPT (0.54) MAPTRXFP1POLBKMT2AALDH1A1
SCHEMBL27739336 0.77 MAPT (0.52) MAPTRXFP1POLBKMT2AALDH1A1
SCHEMBL29001226 0.77 RXFP1 (0.62) MAPTRXFP1POLBALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL761835 0.76 ELANE (0.55) MAPTRXFP1POLBKMT2AALDH1A1
SCHEMBL5179205 0.75 EGLN1 (0.53) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL4058639 0.75 MAPT (0.48) MAPTRXFP1POLBKDM4ETP53
SCHEMBL17848670 0.75 MAPT (0.50) MAPTRXFP1POLBKMT2AALDH1A1
SCHEMBL20224820 0.75 MAPT (0.54) MAPTRXFP1POLBKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025052333-A1 NOVEL 1,2,4-OXADIAZOLES COMPOUNDS AS FUNGICIDE PI INDUSTRIES LTD. (IN) 2025-03-13 WO disclosed
CN-101287738-B Imidazo benzodiazepine derivatives HOFFMANN LA ROCHE 2011-08-10 CN disclosed
CN-101287738-A Imidazo benzodiazepine derivatives HOFFMANN LA ROCHE (CH) 2008-10-15 CN disclosed
EP-1937688-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
WO-2007042421-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO disclosed
US-3994874-A ANTIBACTERIAL RICHARDSON-MERRELL INC. (US) 1976-11-30 US disclosed
US-3956287-A BACTERICIDES RICHARDSON-MERRELL INC. (US) 1976-05-11 US disclosed