SCHEMBL7028883

SCHEMBL7028883

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 6/20 0.43
KDM2A Q9Y2K7 6/20 0.43
CHAT P28329 2/20 0.41
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.40
USP2 O75604 2/20 0.40
LMNA P02545 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
INSR P06213 4/20 0.38
RELA Q04206 1/20 0.38
NPC1 O15118 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
SCHEMBL7033823 0.90 CHAT (0.41) KDM4AKDM2ACHATMEN1ALDH1A1
SCHEMBL7032490 0.89 CHRM2 (0.51) KDM4AKDM2ACHATMEN1ALDH1A1
SCHEMBL7033877 0.89 KDM4A (0.43) KDM4AKDM2ACHATMEN1ALDH1A1
SCHEMBL7733284 0.89 KDM4A (0.52) KDM4AKDM2ACHATMEN1ALDH1A1
Iodide SCHEMBL7034068 0.87 KDM4A (0.54) KDM4AKDM2ACHATMEN1ALDH1A1
Iodide SCHEMBL7034072 0.87 KDM4A (0.54) KDM4AKDM2ACHATMEN1ALDH1A1
SCHEMBL7033836 0.87 CHRM2 (0.46) KDM4AKDM2ACHATMEN1ALDH1A1
SCHEMBL7028949 0.85 MAPT (0.51) KDM4AKDM2ACHATMEN1ALDH1A1
SCHEMBL7034023 0.84 KDM4A (0.40) KDM4AKDM2AMEN1ALDH1A1MAPT
SCHEMBL7731833 0.82 CHAT (0.43) KDM4AKDM2ACHATMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030022105-A1 TWO -PHOTON UPCONVERTING DYES AND APPLICATIONS PRASAD PARAS N (US) 2003-01-30 US disclosed
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