SCHEMBL31127006

SCHEMBL31127006

O=C1C(C(=O)C(F)(F)F)=Cc2ccccc21.[In+3]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.41
▸ CDC25B P30305 3/20 0.39
▸ CDC25A P30304 2/20 0.39
▸ MAPT P10636 5/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ IDO1 P14902 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PTPRC P08575 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ RECQL P46063 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
SCHEMBL7354968 0.76 MAOA (0.50) CES1CDC25BCDC25AMAPTKMT2A
SCHEMBL30645249 0.74 CDC25B (0.47) CES1CDC25BCDC25AMAPTKMT2A
SCHEMBL8102488 0.74 CDC25B (0.43) CES1CDC25BCDC25AMAPTKMT2A
SCHEMBL27358025 0.71 FGFR1 (0.46) CDC25BCDC25AMAPTIDO1ALDH1A1
SCHEMBL28211937 0.71 MAOA (0.49) CES1CDC25BCDC25AMAPTKMT2A
SCHEMBL11409080 0.69 CDC25B (0.50) CES1CDC25BCDC25AMAPTKMT2A
SCHEMBL5091710 0.69 CDC25B (0.48) CES1CDC25BCDC25AMAPTKMT2A
SCHEMBL27264312 0.68 CES1 (0.46) CES1CDC25BCDC25AMAPTKMT2A
SCHEMBL8731780 0.67 CDC25B (0.52) CES1CDC25BCDC25AMAPTKMT2A
SCHEMBL9320128 0.66 MAOA (0.38) CES1CDC25BCDC25AMAPTKMT2A

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-4684612-A1 AN ORGANIC ELECTRONIC DEVICE COMPRISING A SUBSTRATE, AN ANODE LAYER, A CATHODE LAYER, AT LEAST ONE FIRST EMISSION LAYER, AND A HOLE INJECTION LAYER Novaled GmbH (DE) 2026-01-28 — — EP disclosed
WO-2024194322-A1 AN ORGANIC ELECTRONIC DEVICE COMPRISING A SUBSTRATE, AN ANODE LAYER, A CATHODE LAYER, AT LEAST ONE FIRST EMISSION LAYER, AND A HOLE INJECTION LAYER NOVALED GMBH (DE) 2024-09-26 — — WO disclosed
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