SCHEMBL30105028

SCHEMBL30105028

COc1cc(NCCO)cc(NC(=O)Nc2cccc(Br)c2CO)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
HTT P42858 3/20 0.54
ALDH1A1 P00352 2/20 0.54
PTGER3 P43115 3/20 0.44
MAPT P10636 9/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
PKM P14618 3/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL23831600 1.00 RAB9A (0.54) RAB9AHTTALDH1A1PTGER3MAPT
SCHEMBL23831925 0.92 RAB9A (0.52) RAB9AHTTALDH1A1PTGER3MAPT
SCHEMBL30105235 0.92 RAB9A (0.52) RAB9AHTTALDH1A1PTGER3MAPT
SCHEMBL30105262 0.88 RAB9A (0.49) RAB9AHTTALDH1A1PTGER3MAPT
SCHEMBL23831951 0.88 RAB9A (0.49) RAB9AHTTALDH1A1PTGER3MAPT
SCHEMBL23831909 0.88 RAB9A (0.42) RAB9AHTTALDH1A1MAPTMEN1
SCHEMBL30105062 0.88 RAB9A (0.42) RAB9AHTTALDH1A1MAPTMEN1
SCHEMBL23832055 0.88 HTT (0.42) RAB9AHTTALDH1A1MAPTMEN1
SCHEMBL30104999 0.88 HTT (0.42) RAB9AHTTALDH1A1MAPTMEN1
SCHEMBL23831658 0.87 PTGER3 (0.48) RAB9AHTTALDH1A1PTGER3MAPT

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