SCHEMBL30105243

SCHEMBL30105243

COc1cc(NCCN)cc(NC(=O)Nc2cc(F)cc(F)c2CO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MAPT P10636 7/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KMT2A Q03164 6/20 0.38
MEN1 O00255 4/20 0.38
GAA P10253 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PTGER3 P43115 1/20 0.36

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
SCHEMBL23831674 1.00 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL30105128 0.92 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL23831986 0.92 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL30105078 0.90 CNR1 (0.39) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL23831784 0.90 CNR1 (0.39) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL30105117 0.89 NPC1 (0.53) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL27077619 0.89 NPC1 (0.53) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL23831641 0.87 EPHX2 (0.38) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL30105140 0.87 EPHX2 (0.38) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL23831731 0.86 RAB9A (0.48) SMN1; SMN2NPC1RAB9AMAPTHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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