SCHEMBL30105005

SCHEMBL30105005

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.37
HTT P42858 4/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
GAA P10253 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PPARA Q07869 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
P2RY1 P47900 3/20 0.34
CNR1 P21554 1/20 0.34
IGF1R P08069 1/20 0.34

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
SCHEMBL23832029 1.00 EPHX2 (0.39) EPHX2SMN1; SMN2HTTMAPTLMNA
SCHEMBL23831641 0.93 EPHX2 (0.38) EPHX2SMN1; SMN2HTTMAPTLMNA
SCHEMBL30105140 0.93 EPHX2 (0.38) EPHX2SMN1; SMN2HTTMAPTLMNA
SCHEMBL30105056 0.90 EPHX2 (0.43) EPHX2SMN1; SMN2HTTMAPTLMNA
SCHEMBL23831765 0.90 EPHX2 (0.43) EPHX2SMN1; SMN2HTTMAPTLMNA
SCHEMBL23831958 0.88 CNR1 (0.40) SMN1; SMN2HTTMAPTLMNAMEN1
SCHEMBL30105113 0.88 CNR1 (0.40) SMN1; SMN2HTTMAPTLMNAMEN1
SCHEMBL23831986 0.87 SMN1; SMN2 (0.48) SMN1; SMN2HTTMAPTLMNAMEN1
SCHEMBL30105128 0.87 SMN1; SMN2 (0.48) SMN1; SMN2HTTMAPTLMNAMEN1
SCHEMBL23831878 0.86 EPHX2 (0.40) EPHX2SMN1; SMN2HTTMAPTMEN1

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