SCHEMBL23831720

SCHEMBL23831720

NCCNc1cc(F)cc(NC(=O)Nc2cccc(F)c2CO)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.43
NPC1 O15118 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 4/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
MAPT P10636 5/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
GAA P10253 1/20 0.40
TRPA1 O75762 2/20 0.39
CYP1A2 P05177 2/20 0.38
CNR1 P21554 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 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
SCHEMBL30105225 1.00 RAB9A (0.43) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL23831668 0.92 RAB9A (0.44) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL30105236 0.92 RAB9A (0.44) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL30105245 0.91 CNR1 (0.44) RAB9ANPC1HTTMEN1KMT2A
SCHEMBL23831981 0.91 CNR1 (0.44) RAB9ANPC1HTTMEN1KMT2A
SCHEMBL30105251 0.91 RAB9A (0.45) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL23831661 0.91 RAB9A (0.45) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL23831682 0.90 CNR1 (0.43) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL23831832 0.90 HTT (0.41) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL30105155 0.90 CNR1 (0.43) RAB9ANPC1SMN1; SMN2POLBMEN1

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