SCHEMBL7717422

SCHEMBL7717422

CCN(CCCN)c1ccc(C=Cc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 2/20 0.49
KDM2A Q9Y2K7 2/20 0.49
RELA Q04206 1/20 0.47
MEN1 O00255 4/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
ALPG P10696 1/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
APP P05067 4/20 0.46
CASP1 P29466 2/20 0.45
HBB P68871 2/20 0.45
NPC1 O15118 1/20 0.45
ALOX15 P16050 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL9915623 1.00 KDM4A (0.49) KDM4AKDM2ARELAMEN1MAPT
SCHEMBL13223084 0.87 KDM4A (0.59) KDM4AKDM2ARELAMEN1MAPT
SCHEMBL13223082 0.83 KDM4A (0.54) KDM4AKDM2ARELAMEN1MAPT
SCHEMBL9915875 0.83 AOC3 (0.51) ALDH1A1GFER
SCHEMBL9915850 0.81 CHRM2 (0.56) KDM4AKDM2AMEN1MAPTKMT2A
SCHEMBL7717137 0.80 KDM4A (0.58) KDM4AKDM2ARELAMEN1MAPT
SCHEMBL7717138 0.80 KDM4A (0.58) KDM4AKDM2ARELAMEN1MAPT
SCHEMBL19001505 0.77 CHRM2 (0.67) KDM4AKDM2AMEN1MAPTKMT2A
SCHEMBL7899101 0.77 KDM4E (0.50) KDM4AKDM2ARELAMEN1MAPT
SCHEMBL9915622 0.77 KDM4E (0.50) KDM4AKDM2ARELAMEN1MAPT

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-8197722-B2 Irradiating the compound (containing two electron donor groups and a bridge of pi-conjugated bonds containing electron donor groups) with light, and the compound is converted to a multi-photon electronically excited state THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-06-12 US disclosed
US-20020185634-A1 Two-photon or higher-order absorbing optical materials and methods of use CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-12-12 US disclosed
US-6267913-B1 IN HOLOGRAPHYL, BIOLOGY, OPTICAL DATA STORAGE CALIFORNIA INSTITUTE OF TECHNOLOGY 2001-07-31 US disclosed
WO-1998021521-A9 TWO-PHOTON OR HIGHER-ORDER ABSORBING OPTICAL MATERIALS AND METHODS OF USE CALIFORNIA INST OF TECHN (US) 2000-03-02 WO disclosed
WO-1998021521-A1 TWO-PHOTON OR HIGHER-ORDER ABSORBING OPTICAL MATERIALS AND METHODS OF USE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-05-22 WO disclosed