SCHEMBL31256064

SCHEMBL31256064

O=C1C(C(=O)C(F)(F)F)=C([O-])c2ccccc21.O=C1C(C(=O)C(F)(F)F)=C([O-])c2ccccc21.O=C1C(C(=O)C(F)(F)F)=C([O-])c2ccccc21.[In+3]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.41
▸ FGFR1 P11362 6/20 0.39
▸ FGFR2 P21802 6/20 0.39
▸ FGFR4 P22455 6/20 0.39
▸ FGFR3 P22607 6/20 0.39
▸ HSP90AA1 P07900 4/20 0.37
▸ HSP90AB1 P08238 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ CDC25B P30305 1/20 0.37
▸ SRC P12931 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ APAF1 O14727 2/20 0.36
▸ TDP2 O95551 2/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ DNMT1 P26358 1/20 0.36

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
SCHEMBL31127008 0.79 APAF1 (0.48) CES1FGFR1FGFR2FGFR4FGFR3
Anthraquinone SCHEMBL7263957 0.69 MEN1 (0.57) CES1FGFR1FGFR2FGFR4FGFR3
SCHEMBL31127006 0.66 CES1 (0.41) CES1HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL11793576 0.64 FGFR1 (0.69) CES1FGFR1FGFR2FGFR4FGFR3
Anthraquinone SCHEMBL27593709 0.63 MEN1 (0.71) CES1MEN1KMT2ACDC25BNPC1
SCHEMBL5491718 0.62 FGFR1 (0.68) CES1FGFR1FGFR2FGFR4FGFR3
Anthraquinone SCHEMBL1297723 0.61 MEN1 (0.67) CES1MEN1KMT2ACDC25BNPC1
SCHEMBL1275130 0.61 CES1 (0.48) CES1IDO1KDM4EMAPK1HTT
SCHEMBL10560781 0.61 IDO1 (0.60) FGFR1FGFR2FGFR4FGFR3HSP90AA1
SCHEMBL11058268 0.61 FGFR1 (0.58) FGFR1FGFR2FGFR4FGFR3HSP90AA1

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-4683904-A1 COMPOUND OF FORMULA (I); ORGANIC ELECTRONIC DEVICE COMPRISING A COMPOUND OF FORMULA (I); DISPLAY DEVICE COMPRISING THE ORGANIC ELECTRONIC DEVICE Novaled GmbH (DE) 2026-01-28 — — EP disclosed
WO-2024194321-A1 COMPOUND OF FORMULA (I); ORGANIC ELECTRONIC DEVICE COMPRISING A COMPOUND OF FORMULA (I); DISPLAY DEVICE COMPRISING THE ORGANIC ELECTRONIC DEVICE NOVALED GMBH (DE) 2024-09-26 — — WO disclosed
Send feedback