SCHEMBL31396310

SCHEMBL31396310

O=C(O)C1(F)c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ APEX1 P27695 1/20 0.47
▸ PDK2 Q15119 10/20 0.45
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ S100A4 P26447 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ ITGA4 P13612 1/20 0.37

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
SCHEMBL524337 1.00 THRB (0.59) THRBTDP1APEX1PDK2KMT2A
Bromide SCHEMBL27743798 0.98 THRB (0.57) THRBTDP1APEX1PDK2KMT2A
Bromomethane SCHEMBL208930 0.94 THRB (0.53) THRBTDP1APEX1PDK2KMT2A
Propanol SCHEMBL27803571 0.86 THRB (0.46) THRBTDP1APEX1PDK2
SCHEMBL28760722 0.77 THRB (0.38) THRBTDP1APEX1PDK2KMT2A
SCHEMBL27621788 0.77 ALOX5 (0.41) THRBTDP1AKR1C1
SCHEMBL18663304 0.76 THRB (0.64) THRBTDP1APEX1PDK2KMT2A
SCHEMBL15691557 0.76 THRB (0.64) THRBTDP1APEX1PDK2KMT2A
SCHEMBL6316881 0.75 PDK2 (0.50) THRBTDP1APEX1PDK2KMT2A
SCHEMBL29608923 0.75 PDK2 (0.50) THRBTDP1APEX1PDK2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152341-B2 ATOMIZER IN THE FORM OF AN INHALER FOR MEDICAL AEROSOL THERAPY BOEHRINGER INGELHEIM PHARMA (DE) 2025-04-02 — — EP disclosed
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