SCHEMBL23832016

SCHEMBL23832016

COc1cccc(NC(=O)Nc2cccc(F)c2CO)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 3/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
RAB9A P51151 7/20 0.60
ALDH1A1 P00352 3/20 0.60
HTT P42858 2/20 0.60
MAPT P10636 6/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
PKM P14618 3/20 0.59
MAPK1 P28482 1/20 0.59
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
NPC1 O15118 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TRPV1 Q8NER1 1/20 0.55
MITF O75030 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54

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
SCHEMBL30105024 1.00 PTGER3 (0.61) PTGER3CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL30105317 0.88 RAB9A (0.52) PTGER3CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL23831725 0.88 RAB9A (0.52) PTGER3CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL23831771 0.88 MAPT (0.56) PTGER3CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL30105217 0.86 RAB9A (0.50) PTGER3CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL30105121 0.86 PTGER3 (0.52) PTGER3CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL23832034 0.86 RAB9A (0.50) PTGER3CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL23832022 0.86 PTGER3 (0.52) PTGER3CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL23831680 0.86 EPHX2 (0.49) PTGER3CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL30105250 0.86 EPHX2 (0.49) PTGER3CYP1A2CYP2C9CYP2C19RAB9A

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