SCHEMBL23831784

SCHEMBL23831784

NCCNc1cc(F)cc(NC(=O)Nc2cc(F)cc(F)c2CO)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
HTT P42858 3/20 0.38
GAA P10253 1/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
KDR P35968 1/20 0.35
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
IDH2 P48735 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL30105078 1.00 CNR1 (0.39) CNR1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL30105269 0.93 CNR1 (0.44) CNR1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL30104964 0.93 NPC1 (0.36) CNR1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL23831685 0.93 NPC1 (0.36) CNR1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL23831968 0.93 CNR1 (0.44) CNR1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL23831958 0.91 CNR1 (0.40) CNR1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL30105113 0.91 CNR1 (0.40) CNR1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL23831674 0.90 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2HTTGAA
SCHEMBL30105243 0.90 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2HTTGAA
SCHEMBL23831641 0.88 EPHX2 (0.38) NPC1RAB9ASMN1; SMN2HTTGAA

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