SCHEMBL30105331

SCHEMBL30105331

O=C(Nc1cccc(Br)c1)Nc1cc(Cl)cc(Cl)c1CO

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 7/20 0.59
GRIK2 Q13002 2/20 0.59
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HTT P42858 3/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
PTGER3 P43115 1/20 0.50
TRPV1 Q8NER1 1/20 0.47
STING1 Q86WV6 1/20 0.47
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL23832081 1.00 GRIK1 (0.59) GRIK1GRIK2MEN1KMT2AHTT
SCHEMBL23831768 0.90 GRIK1 (0.57) GRIK1GRIK2MEN1KMT2AHTT
SCHEMBL30104983 0.90 GRIK1 (0.57) GRIK1GRIK2MEN1KMT2AHTT
SCHEMBL30105315 0.88 KMT2A (0.62) GRIK1MEN1KMT2AHTTLMNA
SCHEMBL23831980 0.88 KMT2A (0.62) GRIK1MEN1KMT2AHTTLMNA
SCHEMBL23832096 0.87 PTGER3 (0.57) GRIK1GRIK2MEN1KMT2AHTT
SCHEMBL30105355 0.87 PTGER3 (0.57) GRIK1GRIK2MEN1KMT2AHTT
SCHEMBL23831787 0.87 KMT2A (0.43) GRIK1GRIK2MEN1KMT2AHTT
SCHEMBL30105192 0.87 KMT2A (0.43) GRIK1GRIK2MEN1KMT2AHTT
SCHEMBL23832004 0.86 KMT2A (0.43) GRIK1GRIK2MEN1KMT2AHTT

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