SCHEMBL23831731

SCHEMBL23831731

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.48
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
PKM P14618 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
PTGER3 P43115 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 7/20 0.42
TP53 P04637 1/20 0.40
TSHR P16473 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
SCHEMBL30105218 1.00 RAB9A (0.48) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL23831951 0.93 RAB9A (0.49) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL30105262 0.93 RAB9A (0.49) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL30105235 0.90 RAB9A (0.52) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL23831911 0.90 PTGER3 (0.49) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL30105184 0.90 PTGER3 (0.49) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL23831925 0.90 RAB9A (0.52) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL23831720 0.88 RAB9A (0.43) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL30105225 0.88 RAB9A (0.43) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL23831992 0.88 EPHX2 (0.40) RAB9ANPC1SMN1; SMN2PTGER3CYP1A2

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