SCHEMBL30105053

SCHEMBL30105053

O=C(Nc1cccc(F)c1)Nc1cc(Cl)ccc1CCO

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 7/20 0.65
MEN1 O00255 7/20 0.63
KMT2A Q03164 7/20 0.63
RAB9A P51151 3/20 0.63
MAPT P10636 4/20 0.55
NPC1 O15118 1/20 0.53
TRPV1 Q8NER1 1/20 0.50
PTGER3 P43115 1/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MARS1 P56192 1/20 0.48
NTRK1 P04629 1/20 0.48
CDK19 Q9BWU1 1/20 0.48
CNR1 P21554 1/20 0.46

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
SCHEMBL23831808 1.00 GRIK1 (0.65) GRIK1MEN1KMT2ARAB9AMAPT
SCHEMBL23831915 0.90 MEN1 (0.63) GRIK1MEN1KMT2ARAB9AMAPT
SCHEMBL30104966 0.90 MEN1 (0.63) GRIK1MEN1KMT2ARAB9AMAPT
SCHEMBL30105181 0.90 GRIK1 (0.67) GRIK1MEN1KMT2ARAB9AMAPT
SCHEMBL23831763 0.90 GRIK1 (0.67) GRIK1MEN1KMT2ARAB9AMAPT
SCHEMBL23831816 0.90 MEN1 (0.60) GRIK1MEN1KMT2ARAB9AMAPT
SCHEMBL30105034 0.90 MEN1 (0.62) GRIK1MEN1KMT2ARAB9AMAPT
SCHEMBL23831843 0.90 MEN1 (0.62) GRIK1MEN1KMT2ARAB9AMAPT
SCHEMBL23831914 0.89 GRIK1 (0.49) GRIK1MEN1KMT2ARAB9AMAPT
SCHEMBL23831827 0.86 GRIK1 (0.47) GRIK1MEN1KMT2ARAB9AMAPT

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