SCHEMBL365802

SCHEMBL365802

c1csc(-c2ccsc2-c2cccs2)c1.c1csc(-c2ccsc2-c2cccs2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 3/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDO2 P48775 1/20 0.41
CES1 P23141 1/20 0.41
LTA4H P09960 3/20 0.40
PTPRC P08575 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ATM Q13315 1/20 0.38
LTK P29376 1/20 0.38
CDK5 Q00535 1/20 0.38

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
SCHEMBL147273 1.00 KDM4E (0.42) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL22734772 0.96 PTPRC (0.41) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL22763791 0.96 PTPRC (0.41) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL22763310 0.96 PTPRC (0.41) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL22734786 0.96 PTPRC (0.41) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL22734807 0.96 PTPRC (0.41) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL5050633 0.94 LTA4H (0.44) KDM4EMAPTHPGDALDH1A1HSD17B10
Methyl Alcohol SCHEMBL6013731 0.94 ALDH1A1 (0.42) KDM4EMAPTHPGDALDH1A1HSD17B10
Boric Acid SCHEMBL1568788 0.92 ALDH1A1 (0.41) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL5672734 0.92 KDM4E (0.38) KDM4EMAPTHPGDALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787579-B2 Sensors and separation based on molecular recognition via electropolymerization and colloidal layer templates UNIVERSITY OF HOUSTON SYSTEM (US) 2020-09-29 US disclosed
US-20120263922-A1 SENSORS AND SEPARATION BASED ON MOLECULAR RECOGNITION VIA ELECTROPOLYMERIZATION AND COLLOIDAL LAYER TEMPLATES THE UNIVERSITY OF HOUSTON SYSTEM (US) 2012-10-18 US disclosed
WO-2012009239-A2 SENSORS AND SEPARATION BASED ON MOLECULAR RECOGNITION VIA ELECTROPOLYMERIZATION AND COLLOIDAL LAYER TEMPLATES THE UNIVERSITY OF HOUSTON SYSTEM (US) 2012-01-19 WO disclosed