SCHEMBL5831358

SCHEMBL5831358

CCCCCCCCCCCCOc1ccc(-c2nc3ccccc3s2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 4/20 0.78
ATP4B P51164 4/20 0.78
RAB9A P51151 5/20 0.62
KDM4E B2RXH2 4/20 0.62
NPC1 O15118 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
PKM P14618 1/20 0.62
MAPT P10636 4/20 0.59
RXFP1 Q9HBX9 1/20 0.59
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
APP P05067 3/20 0.51
GLA P06280 2/20 0.51

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
SCHEMBL5946741 1.00 ATP4A (0.78) ATP4AATP4BRAB9AKDM4ENPC1
SCHEMBL19229535 1.00 ATP4A (0.78) ATP4AATP4BRAB9AKDM4ENPC1
SCHEMBL15462904 0.96 ATP4A (0.83) ATP4AATP4BRAB9AKDM4ENPC1
SCHEMBL10571336 0.88 ATP4A (1.00) ATP4AATP4B
SCHEMBL5053235 0.87 ATP4A (0.60) ATP4AATP4BRAB9AMAPTRXFP1
SCHEMBL29474942 0.87 ATP4A (0.67) ATP4AATP4BRAB9AKDM4ENPC1
SCHEMBL3724320 0.87 ATP4A (0.60) ATP4AATP4BRAB9AMAPTRXFP1
SCHEMBL12503047 0.85 ATP4A (0.68) ATP4AATP4BRAB9AKDM4ENPC1
SCHEMBL7686738 0.85 ATP4A (1.00) ATP4AATP4BRAB9AKDM4ENPC1
SCHEMBL13198328 0.85 KDM4E (0.70) ATP4AATP4BRAB9AKDM4ENPC1

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
US-7118787-B2 Liquid crystal alignment layer UNIVERSITY OF HULL (GB) 2006-10-10 US disclosed
US-20030099785-A1 Liquid crystal alignment layer UNIVERSITY OF HULL (GB) 2003-05-29 US disclosed