SCHEMBL6233173

SCHEMBL6233173

CCCCCCN1c2ccccc2SC1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.41
PDF Q9HBH1 1/20 0.40
CES1 P23141 2/20 0.40
CDC25A P30304 2/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
KDM1A O60341 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH2 P05091 1/20 0.38
ALDH3A1 P30838 1/20 0.38
CNR2 P34972 3/20 0.37
CNR1 P21554 1/20 0.37
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL10602240 1.00 GSK3B (0.41) GSK3BPDFCES1CDC25AKDM4E
Iodide SCHEMBL7749127 0.98 GSK3B (0.40) GSK3BPDFCES1CDC25AKDM4E
Iodide SCHEMBL28413314 0.98 GSK3B (0.40) GSK3BPDFCES1CDC25AKDM4E
SCHEMBL21803246 0.98 KDM1A (0.39) GSK3BPDFCES1CDC25AKDM4E
SCHEMBL6313787 0.94 KDM1A (0.43) GSK3BPDFKDM1AALDH1A1CYP1A2
SCHEMBL1049071 0.87 POLB (0.40) GSK3BPDFKDM1AALDH1A1
SCHEMBL16709179 0.85 MAOA (0.42) GSK3BKDM4ELMNAKDM1AALDH1A1
SCHEMBL29221349 0.84 MAOA (0.34) GSK3BKDM4ELMNAKDM1AALDH1A1
SCHEMBL11547668 0.83 GSK3B (0.40) GSK3BPDFCES1CDC25AKDM4E
SCHEMBL11547662 0.83 GSK3B (0.40) GSK3BPDFCES1CDC25AKDM4E

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
EP-0882983-B1 Reagent and method for classification and counting of leukocytes SYSMEX CORP (JP) 2005-04-06 EP disclosed
US-6004816-A CYANINE DYE WHICH SPECIFICALLY BINDS TO RNA TO INCREASE FLUORESCENCE INTENSITY; FOR ACCURATE FLOW CYTOMETRY SYSMEX CORPORATION (JP) 1999-12-21 US disclosed
EP-0882983-A2 Reagent and method for classification and counting of leukocytes TOA MEDICAL ELECTRONICS CO., LTD. (JP) 1998-12-09 EP disclosed