SCHEMBL9966643

SCHEMBL9966643

CCOC(=O)CCSC1=C(SC)S/C(=C2/SC(CS)=C(SCc3ccc(CSC4=C(SC)S/C(=C5\SC(CC)=C(CS)S5)S4)cc3)S2)S1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 3/20 0.32
POLB P06746 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 2/20 0.31
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9966651 0.85 KDM4E (0.34) MAPTKMT2AKDM4EPOLBALDH1A1
SCHEMBL9969918 0.84 KDM4E (0.36) MAPTKMT2AKDM4EPOLBALDH1A1
SCHEMBL9966697 0.83 KDM4E (0.35) MAPTKMT2AKDM4EPOLBALDH1A1
SCHEMBL9966706 0.81 ALDH1A1 (0.41) MAPTKMT2AKDM4EPOLBCYP4F2
SCHEMBL18862227 0.78 ALDH1A1 (0.45) MAPTKMT2AKDM4EPOLBCYP4F2
SCHEMBL18862204 0.77 ALDH1A1 (0.44) MAPTKMT2AKDM4EPOLBCYP4F2
SCHEMBL9966641 0.77 ALDH1A1 (0.40) MAPTKMT2AKDM4EPOLBALDH1A1
SCHEMBL9969609 0.74
SCHEMBL9970235 0.74 KDM4E (0.36) MAPTKMT2AKDM4EPOLBALDH1A1
SCHEMBL9966653 0.74 KDM4E (0.32) MAPTKMT2AKDM4EALDH1A1TDP1

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-9650392-B2 Electrode active material for power storage device, power storage device, and electronic and transportation device PANASONIC CORPORATION (JP) 2017-05-16 US disclosed
US-20120156572-A1 ELECTRODE ACTIVE MATERIAL FOR POWER STORAGE DEVICE, POWER STORAGE DEVICE, AND ELECTRONIC AND TRANSPORTATION DEVICE PANASONIC CORPORATION (JP) 2012-06-21 US disclosed