SCHEMBL23832020

SCHEMBL23832020

O=C(Nc1cc(F)nc(F)c1)Nc1cc(F)cc(F)c1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
NPC1 O15118 7/20 0.40
RAB9A P51151 7/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
CNR1 P21554 1/20 0.39
MAPT P10636 4/20 0.38
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL23832018 0.88 SMN1; SMN2 (0.44) HTTNPC1RAB9ASMN1; SMN2CNR1
SCHEMBL23831833 0.86 S1PR2 (0.55) HTTNPC1RAB9ASMN1; SMN2CNR1
SCHEMBL30104956 0.86 S1PR2 (0.55) HTTNPC1RAB9ASMN1; SMN2CNR1
SCHEMBL23832093 0.84 HTT (0.47) HTTNPC1RAB9ASMN1; SMN2CNR1
SCHEMBL30105084 0.83 NPC1 (0.42) HTTNPC1RAB9ASMN1; SMN2CNR1
SCHEMBL30105240 0.83 CNR1 (0.47) HTTNPC1RAB9ASMN1; SMN2CNR1
SCHEMBL23832061 0.83 NPC1 (0.42) HTTNPC1RAB9ASMN1; SMN2CNR1
SCHEMBL23831675 0.83 CNR1 (0.47) HTTNPC1RAB9ASMN1; SMN2CNR1
SCHEMBL23831936 0.82 CNR1 (0.46) HTTNPC1RAB9ASMN1; SMN2CNR1
SCHEMBL23831633 0.82 NPC1 (0.41) HTTNPC1RAB9ASMN1; SMN2CNR1

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