SCHEMBL30105022

SCHEMBL30105022

COc1cc(Cl)cc(NC(=O)Nc2cc(Cl)ccc2CCO)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
HTT P42858 2/20 0.52
PKM P14618 1/20 0.52
GRIK1 P39086 4/20 0.50
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CNR1 P21554 1/20 0.45
P2RX1 P51575 1/20 0.44
IDH1 O75874 1/20 0.43
MARS1 P56192 1/20 0.42
PTGER3 P43115 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
VSIG8 P0DPA2 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL23832101 1.00 MAPT (0.52) MAPTHTTPKMGRIK1KMT2A
SCHEMBL23831838 0.91 MAPT (0.50) MAPTHTTPKMGRIK1KMT2A
SCHEMBL30104951 0.91 MAPT (0.50) MAPTHTTPKMGRIK1KMT2A
SCHEMBL30105137 0.91 MAPT (0.54) MAPTHTTPKMGRIK1KMT2A
SCHEMBL23831902 0.91 MAPT (0.54) MAPTHTTPKMGRIK1KMT2A
SCHEMBL23831825 0.90 GRIK1 (0.50) MAPTHTTPKMGRIK1KMT2A
SCHEMBL30105122 0.90 GRIK1 (0.50) MAPTHTTPKMGRIK1KMT2A
SCHEMBL23831794 0.90 MAPT (0.49) MAPTHTTPKMGRIK1KMT2A
SCHEMBL30104990 0.90 MAPT (0.49) MAPTHTTPKMGRIK1KMT2A
SCHEMBL23831889 0.89 MAPT (0.48) MAPTHTTPKMGRIK1KMT2A

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