SCHEMBL30105063

SCHEMBL30105063

COc1cc(Br)cc(NC(=O)Nc2cc(F)ccc2CO)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
HTT P42858 3/20 0.52
SMN1; SMN2 Q16637 6/20 0.50
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 1/20 0.44
PTGER3 P43115 4/20 0.43
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCR3 P51677 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL23831871 1.00 MAPT (0.52) MAPTHTTSMN1; SMN2RAB9ANPC1
SCHEMBL23832089 0.91 MAPT (0.50) MAPTHTTSMN1; SMN2RAB9ANPC1
SCHEMBL30104930 0.91 MAPT (0.50) MAPTHTTSMN1; SMN2RAB9ANPC1
SCHEMBL30104969 0.91 RAB9A (0.45) MAPTHTTSMN1; SMN2RAB9ANPC1
SCHEMBL23831618 0.91 RAB9A (0.45) MAPTHTTSMN1; SMN2RAB9ANPC1
SCHEMBL23831875 0.89 MAPT (0.55) MAPTHTTSMN1; SMN2RAB9ANPC1
SCHEMBL30104984 0.89 MAPT (0.55) MAPTHTTSMN1; SMN2RAB9ANPC1
SCHEMBL23831729 0.89 HTT (0.43) MAPTHTTSMN1; SMN2RAB9ANPC1
SCHEMBL23831613 0.87 RAB9A (0.46) MAPTHTTSMN1; SMN2RAB9ANPC1
SCHEMBL23831786 0.87 GRIK1 (0.52) MAPTHTTRAB9ANPC1KMT2A

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