SCHEMBL30105087

SCHEMBL30105087

O=C(Nc1cc(Cl)cc(NCCO)c1)Nc1cc(F)cc(F)c1CO

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
DHODH Q02127 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 3/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
P2RY1 P47900 1/20 0.35
GRIK1 P39086 1/20 0.35
GAA P10253 1/20 0.35
SLC2A1 P11166 1/20 0.35
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL23831669 1.00 CNR1 (0.44) CNR1ALDH1A1KDM4EDHODHMEN1
SCHEMBL23831958 0.93 CNR1 (0.40) CNR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL30105113 0.93 CNR1 (0.40) CNR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL30105269 0.92 CNR1 (0.44) CNR1ALDH1A1KDM4EDHODHMEN1
SCHEMBL23831968 0.92 CNR1 (0.44) CNR1ALDH1A1KDM4EDHODHMEN1
SCHEMBL23831675 0.90 CNR1 (0.47) CNR1ALDH1A1DHODHMEN1KMT2A
SCHEMBL30105240 0.90 CNR1 (0.47) CNR1ALDH1A1DHODHMEN1KMT2A
SCHEMBL23831936 0.89 CNR1 (0.46) CNR1DHODHMEN1KMT2ARAB9A
SCHEMBL30105067 0.89 CNR1 (0.46) CNR1DHODHMEN1KMT2ARAB9A
SCHEMBL23831860 0.88 NPC1 (0.37) CNR1ALDH1A1MEN1KMT2ARAB9A

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