SCHEMBL23831722

SCHEMBL23831722

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
DHODH Q02127 1/20 0.43
KDR P35968 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
LMNA P02545 6/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 9/20 0.41
KMT2A Q03164 9/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 7/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL30105229 1.00 CNR1 (0.44) CNR1DHODHKDRTRPV1LMNA
SCHEMBL23831682 0.92 CNR1 (0.43) CNR1KDRTRPV1LMNARAB9A
SCHEMBL30105155 0.92 CNR1 (0.43) CNR1KDRTRPV1LMNARAB9A
SCHEMBL30105292 0.91 TRPV1 (0.51) CNR1DHODHKDRTRPV1LMNA
SCHEMBL23831852 0.91 TRPV1 (0.51) CNR1DHODHKDRTRPV1LMNA
SCHEMBL23832024 0.91 MEN1 (0.46) CNR1KDRTRPV1LMNARAB9A
SCHEMBL30105073 0.91 MEN1 (0.46) CNR1KDRTRPV1LMNARAB9A
SCHEMBL23831981 0.91 CNR1 (0.44) CNR1DHODHTRPV1LMNARAB9A
SCHEMBL30105245 0.91 CNR1 (0.44) CNR1DHODHTRPV1LMNARAB9A
SCHEMBL23832103 0.91 DHODH (0.45) CNR1DHODHKDRTRPV1LMNA

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