SCHEMBL30104992

SCHEMBL30104992

O=C(Nc1cccc(OC(F)(F)F)c1)Nc1cc(F)cc(F)c1CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
KDR P35968 3/20 0.47
BRAF P15056 2/20 0.47
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 3/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
FLT3 P36888 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CASP3 P42574 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL23831665 1.00 EPHX2 (0.47) EPHX2KDRBRAFGAASMN1; SMN2
SCHEMBL23831680 0.89 EPHX2 (0.49) EPHX2KDRBRAFGAAHTT
SCHEMBL30105250 0.89 EPHX2 (0.49) EPHX2KDRBRAFGAAHTT
SCHEMBL30105056 0.87 EPHX2 (0.43) EPHX2SMN1; SMN2HTTMAPTNPC1
SCHEMBL23831765 0.87 EPHX2 (0.43) EPHX2SMN1; SMN2HTTMAPTNPC1
SCHEMBL23831771 0.86 MAPT (0.56) SMN1; SMN2HTTMAPTALDH1A1TSHR
SCHEMBL23832088 0.84 EPHX2 (0.49) EPHX2KDRBRAFGAAHTT
SCHEMBL30105123 0.84 EPHX2 (0.49) EPHX2KDRBRAFGAAHTT
SCHEMBL23831927 0.83 EPHX2 (0.39) EPHX2KDRSMN1; SMN2HTTMAPT
SCHEMBL23831757 0.83 EPHX2 (0.46) EPHX2SMN1; SMN2HTTMAPTNPC1

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-4121415-A1 INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2023-01-25 EP disclosed