SCHEMBL6914407

SCHEMBL6914407

C1=CC2(CCCCC2)Nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
GAA P10253 2/20 0.43
PDE7A Q13946 3/20 0.41
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 5/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HPGD P15428 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
NR4A1 P22736 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
APAF1 O14727 1/20 0.37
USP2 O75604 1/20 0.37
APP P05067 1/20 0.37
SNCA P37840 1/20 0.37
HTT P42858 1/20 0.37
ACAT2 Q9BWD1 1/20 0.36
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL7085627 0.76 MAOB (0.40) MAPTPDE7AKDM4EALDH1A1TSHR
Hydrochloric Acid SCHEMBL7661598 0.75 MAOB (0.39) MAPTPDE7AKDM4EALDH1A1KMT2A
SCHEMBL29468014 0.74 GAA (0.44) MAPTGAAKDM4EALDH1A1TSHR
SCHEMBL9124282 0.73 MAPT (0.38) MAPTGAAPDE7AKDM4EKMT2A
SCHEMBL7086741 0.73 PDE7A (0.50) MAPTGAAPDE7AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7649996 0.72 PDE7A (0.49) MAPTGAAPDE7AKDM4EALDH1A1
SCHEMBL20104729 0.70 PDE7A (0.38) PDE7AACAT2LMNAPOLB
SCHEMBL20104727 0.70 PDE7A (0.38) PDE7AACAT2LMNAPOLB
SCHEMBL29373570 0.70 ALDH1A1 (0.40) MAPTGAAPDE7AKDM4EALDH1A1
SCHEMBL6984818 0.70 ALDH1A1 (0.40) MAPTGAAPDE7AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004093995-A2 USE OF ANTIOXIDANTS TO TREAT BONE LOSS DISORDERS ST GEORGE'S ENTERPRISES LIMITED (GB) 2004-11-04 WO disclosed