SCHEMBL23832018

SCHEMBL23832018

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.44
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
HTT P42858 3/20 0.44
CNR1 P21554 1/20 0.42
IDH2 P48735 1/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
KDR P35968 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL30104995 0.90 NPC1 (0.41) SMN1; SMN2NPC1RAB9AHTTCNR1
SCHEMBL23831633 0.90 NPC1 (0.41) SMN1; SMN2NPC1RAB9AHTTCNR1
SCHEMBL30105067 0.90 CNR1 (0.46) SMN1; SMN2NPC1RAB9AHTTCNR1
SCHEMBL23831936 0.90 CNR1 (0.46) SMN1; SMN2NPC1RAB9AHTTCNR1
SCHEMBL30105113 0.89 CNR1 (0.40) SMN1; SMN2NPC1RAB9AHTTCNR1
SCHEMBL23831958 0.89 CNR1 (0.40) SMN1; SMN2NPC1RAB9AHTTCNR1
SCHEMBL23832020 0.88 HTT (0.42) SMN1; SMN2NPC1RAB9AHTTCNR1
SCHEMBL23831675 0.88 CNR1 (0.47) SMN1; SMN2NPC1RAB9AHTTCNR1
SCHEMBL23832061 0.88 NPC1 (0.42) SMN1; SMN2NPC1RAB9AHTTCNR1
SCHEMBL30105084 0.88 NPC1 (0.42) SMN1; SMN2NPC1RAB9AHTTCNR1

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