SCHEMBL30714906

SCHEMBL30714906

Oc1c(-c2nc3ccccc3s2)ccc2c(O)c(-c3nc4ccccc4s3)ccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.64
KDM4E B2RXH2 9/20 0.64
NPC1 O15118 8/20 0.64
MAPT P10636 7/20 0.64
NPSR1 Q6W5P4 1/20 0.64
SMN1; SMN2 Q16637 6/20 0.60
ALDH1A1 P00352 6/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
GAA P10253 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
LMNA P02545 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
GLA P06280 2/20 0.56
POLB P06746 3/20 0.55
HSD17B10 Q99714 3/20 0.55
APP P05067 1/20 0.55
THRB P10828 1/20 0.55
ALOX15 P16050 1/20 0.55
CASP1 P29466 1/20 0.55

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
SCHEMBL196651 0.89 RAB9A (0.59) RAB9AKDM4ENPC1MAPTNPSR1
SCHEMBL30714924 0.89 RAB9A (0.59) RAB9AKDM4ENPC1MAPTNPSR1
SCHEMBL30714892 0.85 RAB9A (0.56) RAB9AKDM4ENPC1MAPTNPSR1
SCHEMBL5974815 0.81 RAB9A (0.67) RAB9AKDM4ENPC1MAPTNPSR1
SCHEMBL29558566 0.81 RAB9A (0.67) RAB9AKDM4ENPC1MAPTNPSR1
SCHEMBL12776942 0.81 KDM4E (0.57) RAB9AKDM4ENPC1MAPTNPSR1
SCHEMBL231307 0.79 KDM4E (0.75) RAB9AKDM4ENPC1MAPTNPSR1
SCHEMBL5051936 0.79 MAPT (0.63) RAB9AKDM4ENPC1MAPTNPSR1
SCHEMBL5973870 0.79 RAB9A (0.63) RAB9AKDM4ENPC1MAPTNPSR1
SCHEMBL7192851 0.79 RAB9A (0.68) RAB9AKDM4ENPC1MAPTNPSR1

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
WO-2023242454-A1 HYBRID MATERIAL FOR DETECTING ACID AND BASE VAPOURS UNIVERSIDAD DE CASTILLA LA MANCHA (ES) 2023-12-21 WO disclosed