SCHEMBL30105032

SCHEMBL30105032

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GRIK1 P39086 7/20 0.49
DHODH Q02127 1/20 0.49
P2RY1 P47900 1/20 0.48
TRPV1 Q8NER1 2/20 0.47
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CNR1 P21554 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
SCHEMBL23831629 1.00 MEN1 (0.50) MEN1KMT2AMAPTRAB9ANPSR1
SCHEMBL30105247 0.91 GRIK1 (0.56) MEN1KMT2AMAPTRAB9ANPSR1
SCHEMBL30105112 0.91 GRIK1 (0.47) MEN1KMT2AMAPTRAB9ANPSR1
SCHEMBL23832080 0.91 GRIK1 (0.56) MEN1KMT2AMAPTRAB9ANPSR1
SCHEMBL23831827 0.91 GRIK1 (0.47) MEN1KMT2AMAPTRAB9ANPSR1
SCHEMBL23831590 0.90 TRPV1 (0.45) MEN1KMT2AMAPTRAB9ANPSR1
SCHEMBL30105288 0.90 TRPV1 (0.45) MEN1KMT2AMAPTRAB9ANPSR1
SCHEMBL23831843 0.89 MEN1 (0.62) MEN1KMT2AMAPTRAB9AGRIK1
SCHEMBL30105034 0.89 MEN1 (0.62) MEN1KMT2AMAPTRAB9AGRIK1
SCHEMBL23832094 0.88 MEN1 (0.53) MEN1KMT2AMAPTRAB9ANPSR1

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