SCHEMBL23831757

SCHEMBL23831757

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.46
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CNR1 P21554 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
IGF1R P08069 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
P2RY1 P47900 4/20 0.36
GRIK1 P39086 1/20 0.35
S1PR2 O95136 1/20 0.35
PLA2G2A P14555 1/20 0.35

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
SCHEMBL30105056 0.91 EPHX2 (0.43) EPHX2SMN1; SMN2LMNAMAPTHTT
SCHEMBL23831765 0.91 EPHX2 (0.43) EPHX2SMN1; SMN2LMNAMAPTHTT
SCHEMBL30105174 0.87 EPHX2 (0.39) EPHX2SMN1; SMN2LMNAMAPTHTT
SCHEMBL23831927 0.87 EPHX2 (0.39) EPHX2SMN1; SMN2LMNAMAPTHTT
SCHEMBL30105323 0.87 NPC1 (0.49) CNR1SMN1; SMN2LMNAMAPTHTT
SCHEMBL23831589 0.87 NPC1 (0.49) CNR1SMN1; SMN2LMNAMAPTHTT
SCHEMBL30105005 0.86 EPHX2 (0.39) EPHX2CNR1SMN1; SMN2LMNAMAPT
SCHEMBL23831609 0.86 EPHX2 (0.46) EPHX2CNR1IGF1RP2RY1PLA2G2A
SCHEMBL23832029 0.86 EPHX2 (0.39) EPHX2CNR1SMN1; SMN2LMNAMAPT
SCHEMBL23831675 0.86 CNR1 (0.47) CNR1SMN1; SMN2LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4121415-B1 INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIV PALACKEHO (CZ) 2024-02-07 EP disclosed
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
WO-2021185391-A1 INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2021-09-23 WO disclosed