SCHEMBL23831981

SCHEMBL23831981

NCCNc1cc(Cl)cc(NC(=O)Nc2cccc(F)c2CO)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
DHODH Q02127 1/20 0.43
MEN1 O00255 8/20 0.42
KMT2A Q03164 8/20 0.42
MAPT P10636 6/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
RAB9A P51151 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NPC1 O15118 1/20 0.39
GRIK1 P39086 1/20 0.39

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
SCHEMBL30105245 1.00 CNR1 (0.44) CNR1DHODHMEN1KMT2AMAPT
SCHEMBL30105014 0.92 CNR1 (0.45) CNR1DHODHMEN1KMT2AMAPT
SCHEMBL27077624 0.92 CNR1 (0.45) CNR1DHODHMEN1KMT2AMAPT
SCHEMBL30105229 0.91 CNR1 (0.44) CNR1DHODHMEN1KMT2AMAPT
SCHEMBL23831722 0.91 CNR1 (0.44) CNR1DHODHMEN1KMT2AMAPT
SCHEMBL30105225 0.91 RAB9A (0.43) CNR1MEN1KMT2AMAPTHTT
SCHEMBL23831720 0.91 RAB9A (0.43) CNR1MEN1KMT2AMAPTHTT
SCHEMBL23831818 0.89 DHODH (0.53) CNR1DHODHMEN1KMT2AMAPT
SCHEMBL30105254 0.89 DHODH (0.53) CNR1DHODHMEN1KMT2AMAPT
SCHEMBL23831788 0.89 MEN1 (0.43) DHODHMEN1KMT2AMAPTLMNA

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