SCHEMBL23831754

SCHEMBL23831754

O=C(Nc1cccc(Br)c1)Nc1cccc(F)c1CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
MAPT P10636 5/20 0.53
HTT P42858 4/20 0.53
LMNA P02545 3/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
GRIK1 P39086 3/20 0.49
GRIK2 Q13002 2/20 0.49
STING1 Q86WV6 1/20 0.49
PARP1 P09874 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL30104934 1.00 MEN1 (0.53) MEN1KMT2AMAPTHTTLMNA
SCHEMBL23831662 0.91 RAB9A (0.52) MEN1KMT2AMAPTHTTLMNA
SCHEMBL30105257 0.91 RAB9A (0.52) MEN1KMT2AMAPTHTTLMNA
SCHEMBL30105179 0.87 MEN1 (0.51) MEN1KMT2AMAPTHTTLMNA
SCHEMBL23832114 0.87 MEN1 (0.51) MEN1KMT2AMAPTHTTLMNA
SCHEMBL23831963 0.87 RAB9A (0.49) MEN1KMT2AMAPTHTTLMNA
SCHEMBL30104977 0.87 RAB9A (0.49) MEN1KMT2AMAPTHTTLMNA
SCHEMBL23831796 0.86 MEN1 (0.61) MEN1KMT2AMAPTHTTLMNA
SCHEMBL23831977 0.86 TRPV1 (0.54) MEN1KMT2AMAPTHTTLMNA
SCHEMBL30105361 0.86 MEN1 (0.61) MEN1KMT2AMAPTHTTLMNA

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