SCHEMBL30105082

SCHEMBL30105082

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 13/20 0.58
GRIK2 Q13002 2/20 0.49
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TRPV1 Q8NER1 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
HTT P42858 1/20 0.41
CNR1 P21554 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL23831691 1.00 GRIK1 (0.58) GRIK1GRIK2MEN1KMT2ATRPV1
SCHEMBL23832080 0.95 GRIK1 (0.56) GRIK1GRIK2MEN1KMT2ATRPV1
SCHEMBL30105247 0.95 GRIK1 (0.56) GRIK1GRIK2MEN1KMT2ATRPV1
SCHEMBL30105193 0.92 GRIK1 (0.53) GRIK1GRIK2MEN1KMT2ATRPV1
SCHEMBL23831823 0.92 GRIK1 (0.53) GRIK1GRIK2MEN1KMT2ATRPV1
SCHEMBL23831604 0.91 GRIK1 (0.52) GRIK1GRIK2MEN1KMT2ATRPV1
SCHEMBL30105301 0.91 GRIK1 (0.52) GRIK1GRIK2MEN1KMT2ATRPV1
SCHEMBL23831607 0.89 GRIK1 (0.60) GRIK1GRIK2MEN1KMT2ATRPV1
SCHEMBL30104976 0.89 GRIK1 (0.60) GRIK1GRIK2MEN1KMT2ATRPV1
SCHEMBL23831920 0.89 GRIK1 (0.74) GRIK1GRIK2MEN1KMT2ATRPV1

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