SCHEMBL26464405

SCHEMBL26464405

Nc1ccc(-c2n[nH]c(-c3ccc(C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
LMNA P02545 1/20 0.67
KIF11 P52732 1/20 0.55
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
ATM Q13315 1/20 0.54
NR1H2 P55055 4/20 0.50
NR1H3 Q13133 4/20 0.50
ATAD2 Q6PL18 1/20 0.48
DGAT1 O75907 1/20 0.46
GFER P55789 2/20 0.44
HPGDS O60760 1/20 0.43
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALPL P05186 1/20 0.39

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
SCHEMBL14521015 0.86 NR1H2 (0.71) NPC1RAB9ALMNAKIF11KDM4E
SCHEMBL29035846 0.86 NR1H2 (0.71) NPC1RAB9ALMNAKIF11KDM4E
SCHEMBL28147205 0.84 NR1H2 (0.67) NPC1RAB9ALMNAKDM4EPOLB
SCHEMBL11310455 0.82 NPC1 (0.73) NPC1RAB9ALMNAKDM4ENR1H2
SCHEMBL17280061 0.81 NPC1 (0.55) NPC1RAB9ALMNAKDM4EPOLB
SCHEMBL1230235 0.81 NPC1 (0.50) NPC1RAB9ALMNAKIF11KDM4E
SCHEMBL1260404 0.81 KIF11 (0.58) NPC1RAB9ALMNAKIF11KDM4E
SCHEMBL26101505 0.81 NPC1 (0.61) NPC1RAB9ALMNAKDM4EPOLB
SCHEMBL8726592 0.80 ALPL (0.61) NPC1RAB9ALMNAKIF11KDM4E
SCHEMBL27935074 0.80 NPC1 (0.49) NPC1RAB9ALMNAKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 WO disclosed
EP-4173485-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-03 EP disclosed