SCHEMBL31277017

SCHEMBL31277017

O=C(N1Cc2ccccc2C1)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.55
▸ ESR1 P03372 4/20 0.54
▸ ESR2 Q92731 4/20 0.54
▸ ABHD6 Q9BV23 2/20 0.51
▸ NAMPT P43490 4/20 0.50
▸ RIPK1 Q13546 3/20 0.49
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ TAS1R2 Q8TE23 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ HSP90AB1 P08238 1/20 0.46
▸ HSP90B1 P14625 1/20 0.46
▸ TRAP1 Q12931 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ CNR2 P34972 1/20 0.43

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
SCHEMBL1367873 1.00 NOTUM (0.55) NOTUMESR1ESR2ABHD6NAMPT
SCHEMBL566389 0.87 ESR1 (0.68) NOTUMESR1ESR2ABHD6RIPK1
SCHEMBL30263783 0.87 ESR1 (0.68) NOTUMESR1ESR2ABHD6RIPK1
SCHEMBL26845990 0.86 NOTUM (0.53) NOTUMESR1ESR2ABHD6NAMPT
SCHEMBL7786861 0.85 ESR1 (0.53) NOTUMESR1ESR2ABHD6NAMPT
SCHEMBL5424954 0.84 RIPK1 (0.72) NOTUMESR1ESR2ABHD6RIPK1
SCHEMBL7524427 0.83 ESR1 (0.44) NOTUMESR1ESR2ABHD6NAMPT
SCHEMBL25825897 0.81 ABHD6 (0.47) ESR1ESR2ABHD6HSP90AA1HSP90AB1
SCHEMBL506139 0.80 ESR1 (0.59) NOTUMESR1ESR2ABHD6RIPK1
SCHEMBL25604135 0.80 ESR2 (0.77) ESR1ESR2ABHD6HSP90AA1HSP90AB1

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-4596534-A1 NONCOVALENT SMALL-MOLECULE INHIBITORS OF THE KEAP1-NRF2 INTERACTION University of Copenhagen (DK) 2025-08-06 — — EP disclosed
WO-2024259303-A1 COMPOUNDS AND COMPOSITIONS AS CEREBLON LIGANDS AND USES THEREOF ONCOPIA THERAPEUTICS, INC. D/B/A SK LIFE SCIENCE LABS (US) 2024-12-19 — — WO disclosed
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