SCHEMBL23831752

SCHEMBL23831752

O=C(Nc1cc(F)cc(OC(F)(F)F)c1)Nc1cccc(Cl)c1CCO

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.52
KDR P35968 1/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
XBP1 P17861 1/20 0.42
PTGER3 P43115 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CNR1 P21554 1/20 0.41
P2RY1 P47900 3/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
IGF1R P08069 1/20 0.41
EPHX2 P34913 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 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
SCHEMBL30105016 0.93 KDR (0.46) TRPV1KDRMEN1KMT2AMAPT
SCHEMBL23832107 0.93 KDR (0.46) TRPV1KDRMEN1KMT2AMAPT
SCHEMBL30104981 0.91 TRPV1 (0.53) TRPV1KDRMEN1KMT2AMAPT
SCHEMBL23831651 0.91 TRPV1 (0.53) TRPV1KDRMEN1KMT2AMAPT
SCHEMBL30105110 0.89 TRPV1 (0.51) TRPV1KDRMEN1KMT2AMAPT
SCHEMBL30104912 0.89 TRPV1 (0.51) TRPV1KDRMEN1KMT2AMAPT
SCHEMBL23831810 0.89 TRPV1 (0.51) TRPV1KDRMEN1KMT2AMAPT
SCHEMBL23831822 0.89 TRPV1 (0.51) TRPV1KDRMEN1KMT2AMAPT
SCHEMBL23831943 0.88 TRPV1 (0.53) TRPV1KDRMEN1KMT2AMAPT
SCHEMBL30104965 0.88 TRPV1 (0.53) TRPV1KDRMEN1KMT2AMAPT

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