SCHEMBL23831725

SCHEMBL23831725

COc1cc(F)cc(NC(=O)Nc2cccc(F)c2CO)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
NPC1 O15118 4/20 0.52
PKM P14618 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
PTGER3 P43115 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 7/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
HTT P42858 4/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL30105317 1.00 RAB9A (0.52) RAB9ASMN1; SMN2NPC1PKMNFKB1
SCHEMBL30105217 0.89 RAB9A (0.50) RAB9ASMN1; SMN2NPC1PKMNFKB1
SCHEMBL30105121 0.89 PTGER3 (0.52) RAB9ASMN1; SMN2NPC1PKMNFKB1
SCHEMBL23832034 0.89 RAB9A (0.50) RAB9ASMN1; SMN2NPC1PKMNFKB1
SCHEMBL23832022 0.89 PTGER3 (0.52) RAB9ASMN1; SMN2NPC1PKMNFKB1
SCHEMBL23831667 0.89 RAB9A (0.56) RAB9ASMN1; SMN2NPC1PKMNFKB1
SCHEMBL30105017 0.89 RAB9A (0.56) RAB9ASMN1; SMN2NPC1PKMNFKB1
SCHEMBL23831864 0.89 PTGER3 (0.52) RAB9ASMN1; SMN2NPC1PKMNFKB1
SCHEMBL30105319 0.89 PTGER3 (0.52) RAB9ASMN1; SMN2NPC1PKMNFKB1
SCHEMBL23832016 0.88 PTGER3 (0.61) RAB9ASMN1; SMN2NPC1PKMNFKB1

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