SCHEMBL31023976

SCHEMBL31023976

O=Cc1c(F)cccc1OC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.36
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
SLC40A1 Q9NP59 1/20 0.35
MPL P40238 1/20 0.35
KRAS P01116 1/20 0.34
KCNN4 O15554 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SCN9A Q15858 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
TRPA1 O75762 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL29118019 0.86 MEN1 (0.35) ERN1KRASMEN1KMT2AALDH1A1
SCHEMBL29117968 0.84 MEN1 (0.35) ERN1EPHX2KDM4EGAAKRAS
SCHEMBL19470537 0.80 MEN1 (0.55) KDM4EGAAMEN1KMT2AGRIA1
SCHEMBL14354200 0.80 MAOA (0.43) ERN1KDM4EGAASLC40A1ALDH1A1
SCHEMBL31437514 0.80 ERN1 (0.38) ERN1KDM4EGAAMEN1KMT2A
SCHEMBL29954419 0.80 MPL (0.37) KDM4EGAASLC40A1MPLMEN1
SCHEMBL13580797 0.77 DRD2 (0.36) ALDH1A1NFE2L2
SCHEMBL5113698 0.77 MEN1 (0.37) ERN1KDM4EMEN1KMT2AALDH1A1
SCHEMBL305745 0.77 ERN1 (0.47) ERN1GAAKRASKMT2AALDH1A1
SCHEMBL30814252 0.76 ERN1 (0.43) ERN1KRASMEN1KMT2AALDH1A1

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-4651866-A1 HYDRAZONYL SULTONES AND USES THEREOF The Research Foundation for The State University of New York (US) 2025-11-26 EP disclosed
WO-2024156007-A1 HYDRAZONYL SULTONES AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-07-25 WO disclosed