SCHEMBL7717138

SCHEMBL7717138

CCCCN(CCCC)c1ccc(C=Cc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 4/20 0.58
KDM2A Q9Y2K7 4/20 0.58
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
CHRM5 P08912 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
RELA Q04206 1/20 0.53
APP P05067 4/20 0.52
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CASP1 P29466 2/20 0.50
HBB P68871 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
ALOX15 P16050 1/20 0.50
RAB9A P51151 1/20 0.50
INSR P06213 2/20 0.48
GAA P10253 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
SCHEMBL7717137 1.00 KDM4A (0.58) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL13223084 0.93 KDM4A (0.59) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL9915600 0.93 APP (0.61) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL3045309 0.93 CHRM2 (0.60) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL9915629 0.93 CHRM2 (0.60) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL3045310 0.93 CHRM2 (0.60) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL6810830 0.93 CHRM2 (0.60) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL9915599 0.92 APP (0.65) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL9915602 0.92 APP (0.65) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL9915601 0.92 APP (0.65) KDM4AKDM2ACHRM2CHRM4CHRM5

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