SCHEMBL5605098

SCHEMBL5605098

CNC1C=Cc2cccc3cccc1c23

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 2/20 0.30
HSD17B10 Q99714 2/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
NFKB1 P19838 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC6A2 P23975 1/20 0.30

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
SCHEMBL11480545 0.86
SCHEMBL6541973 0.85 ALDH1A1 (0.32) ALDH1A1HPGDCYP3A4HSD17B10CYP1A1
SCHEMBL28470474 0.82 ALDH1A1 (0.30) ALDH1A1HPGDCYP3A4HSD17B10CYP1A1
SCHEMBL27683847 0.79 KDM4E (0.42) KDM4ECYP3A4HSD17B10LMNATP53
SCHEMBL1680608 0.79 KDM4E (0.42) KDM4ECYP3A4HSD17B10LMNATP53
SCHEMBL9719896 0.76
SCHEMBL27594499 0.76 CA12 (0.32) ALDH1A1HSD17B10HTR2ATSHR
SCHEMBL27569298 0.76 SIGMAR1 (0.35)
SCHEMBL5534355 0.76
SCHEMBL28580710 0.76 ALDH1A1 (0.33) ALDH1A1HPGDCYP3A4HSD17B10CYP1A1

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
EP-1462470-B1 Dielectric films and materials therefor DAICEL CHEM (JP) 2007-08-29 EP disclosed