SCHEMBL23831701

SCHEMBL23831701

O=C(Nc1ccnc(Br)c1)Nc1cc(Cl)ccc1CCO

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 8/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TRPV1 Q8NER1 1/20 0.43
GRIK2 Q13002 2/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
SMARCA2 P51531 2/20 0.41
SMARCA4 P51532 2/20 0.41
CNR1 P21554 1/20 0.41
AR P10275 3/20 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
SCHEMBL30105300 1.00 GRIK1 (0.50) GRIK1KMT2AMEN1TRPV1GRIK2
SCHEMBL23831894 0.91 GRIK1 (0.52) GRIK1KMT2AMEN1TRPV1GRIK2
SCHEMBL30105139 0.91 GRIK1 (0.52) GRIK1KMT2AMEN1TRPV1GRIK2
SCHEMBL30104978 0.88 SMARCA2 (0.56) GRIK1KMT2AMEN1TRPV1SMARCA2
SCHEMBL23831776 0.88 SMARCA2 (0.56) GRIK1KMT2AMEN1TRPV1SMARCA2
SCHEMBL23831961 0.86 HTT (0.44) KMT2AMEN1TRPV1AR
SCHEMBL30104931 0.86 HTT (0.44) KMT2AMEN1TRPV1AR
SCHEMBL23831737 0.86 MEN1 (0.47) GRIK1KMT2AMEN1TRPV1IRAK4
SCHEMBL30105107 0.86 MEN1 (0.47) GRIK1KMT2AMEN1TRPV1IRAK4
SCHEMBL23831809 0.85 CNR1 (0.52) GRIK1KMT2AMEN1TRPV1SMARCA2

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