SCHEMBL9915599

SCHEMBL9915599

CCCCN(CCCC)c1ccc(/C=C/C=C/C=C/c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.65
KDM4A O75164 3/20 0.50
KDM2A Q9Y2K7 3/20 0.50
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
MAPT P10636 2/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 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
SCHEMBL9915602 1.00 APP (0.65) APPKDM4AKDM2ACHRM2CHRM4
SCHEMBL9915601 1.00 APP (0.65) APPKDM4AKDM2ACHRM2CHRM4
SCHEMBL9915600 0.98 APP (0.61) APPKDM4AKDM2ACHRM2CHRM4
SCHEMBL7717138 0.92 KDM4A (0.58) APPKDM4AKDM2ACHRM2CHRM4
SCHEMBL7717137 0.92 KDM4A (0.58) APPKDM4AKDM2ACHRM2CHRM4
SCHEMBL3419099 0.86 CHRM2 (0.47) APPKDM4AKDM2ACHRM2CHRM4
SCHEMBL3419103 0.86 CHRM2 (0.47) APPKDM4AKDM2ACHRM2CHRM4
SCHEMBL16295267 0.86 CHRM2 (0.47) APPKDM4AKDM2ACHRM2CHRM4
SCHEMBL13223084 0.85 KDM4A (0.59) APPKDM4AKDM2ACHRM2CHRM4
SCHEMBL3045309 0.84 CHRM2 (0.60) APPKDM4AKDM2ACHRM2CHRM4

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 2 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-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