SCHEMBL29457828

SCHEMBL29457828

O=C(O)c1cc2ccc(OC(F)(F)F)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.56
RHEB Q15382 2/20 0.51
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
EIF4A3 P38919 1/20 0.50
DAO P14920 1/20 0.50
SRD5A2 P31213 1/20 0.50
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
PIM1 P11309 1/20 0.47
PDPK1 O15530 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
APEX1 P27695 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL17310806 1.00 KDM4E (0.56) KDM4EKMT2AGAARHEBMAPT
SCHEMBL2931171 0.88 KDM4E (0.71) KDM4EKMT2AGAARHEBMAPT
SCHEMBL27347975 0.87 KDM4E (0.58) KDM4EKMT2AGAAMAPTIDO1
SCHEMBL18298980 0.85 KDM4E (0.56) KDM4EKMT2AGAAMAPTIDO1
SCHEMBL3636732 0.85 DHODH (0.56) KDM4EKMT2AGAARHEBMAPT
SCHEMBL27669939 0.85 KMT2A (0.55) KDM4EKMT2AGAAMAPTTSHR
Trifluoroacetic Acid SCHEMBL27758366 0.84 KDM4E (0.66) KDM4EKMT2AGAARHEBMAPT
SCHEMBL28857183 0.83 KDM4E (0.61) KDM4EKMT2AGAAMAPTIDO1
SCHEMBL6333942 0.81 KDM4E (0.57) KDM4EKMT2AGAARHEBHPGD
SCHEMBL31339909 0.81 KDM4E (0.53) KDM4EKMT2AGAAPIM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4561991-A1 NOVEL HETEROCYCLES AS SPLA2-X INHIBITORS Cayman Chemical Company, Inc. (US) 2025-06-04 EP disclosed
WO-2024026290-A1 NOVEL HETEROCYCLES AS sPLA2-X INHIBITORS CAYMAN CHEMICAL COMPANY INCORPORATED (US) 2024-02-01 WO disclosed
EP-4225446-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076621-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed