SCHEMBL7733284

SCHEMBL7733284

CN(C)c1ccc(/C=C/c2cc[n+](CCO)cc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 4/20 0.52
KDM2A Q9Y2K7 4/20 0.52
RELA Q04206 1/20 0.51
INSR P06213 8/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GFER P55789 2/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47
BRCA1 P38398 1/20 0.47
CASP7 P55210 1/20 0.47
HBB P68871 1/20 0.47
LMNA P02545 1/20 0.47
ALPG P10696 1/20 0.47
THRB P10828 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL7033823 0.89 CHAT (0.41) KDM4AKDM2ARELAINSRMEN1
SCHEMBL7028883 0.89 KDM4A (0.43) KDM4AKDM2ARELAINSRMEN1
SCHEMBL7032490 0.87 CHRM2 (0.51) KDM4AKDM2AINSRMEN1KMT2A
SCHEMBL7025950 0.86 KDM4A (0.55) KDM4AKDM2ARELAINSRMEN1
Iodide SCHEMBL7034124 0.86 KDM4A (0.66) KDM4AKDM2ARELAMEN1KMT2A
Iodide SCHEMBL7034121 0.86 KDM4A (0.66) KDM4AKDM2ARELAMEN1KMT2A
SCHEMBL7731833 0.86 CHAT (0.43) KDM4AKDM2ARELAINSRMEN1
SCHEMBL7033836 0.85 CHRM2 (0.46) KDM4AKDM2AINSRMEN1KMT2A
SCHEMBL7034006 0.82 MEN1 (0.71) KDM4AKDM2ARELAINSRMEN1
SCHEMBL7034023 0.80 KDM4A (0.40) KDM4AKDM2ARELAINSRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6402037-B1 Two-photon upconverting dyes and applications THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2002-06-11 US disclosed
US-5912257-A COMPRISING A MATRIX AND STYRYL DYES AND CPOPOSITIONS SHOWING SUPERIOR TWO PHOTON ABSORPTION CROSS-SECTIONS; LASER COMPRISING SOUCE CAPABLE OF PRODUCING INFRARED RADIATION; MULTIPHASE MULTISTRUCTURAL COMPOSITES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-06-15 US disclosed
EP-0862432-A1 TWO-PHOTON UPCONVERTING DYES AND APPLICATIONS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-09-09 EP disclosed
WO-1997009043-A9 TWO-PHOTON UPCONVERTING DYES AND APPLICATIONS 1997-09-18 WO disclosed
WO-1997009043-A1 TWO-PHOTON UPCONVERTING DYES AND APPLICATIONS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-03-13 WO disclosed