SCHEMBL3712435

SCHEMBL3712435

CCCC[Si](C)(C)OCCOCCC(C)Nc1ccnc2cc3c(cc12)OCO3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
ADRA2A P08913 2/20 0.39
CHRM1 P11229 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
CHRM3 P20309 2/20 0.39
KCNH2 Q12809 2/20 0.39
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
ACE2 Q9BYF1 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PRNP P04156 1/20 0.39
APP P05067 1/20 0.39
NQO2 P16083 1/20 0.39
MTOR P42345 1/20 0.39
NR4A2 P43354 1/20 0.39

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
SCHEMBL528353 0.88 CHRM2 (0.35) CHRM2CHRM4CHRM5ADRA2ACHRM1
SCHEMBL242711 0.84 CHRM2 (0.35) CHRM2CHRM4CHRM5ADRA2ACHRM1
SCHEMBL3783903 0.81 HTR1A (0.40) LMNAADRA1DKDM4EHSD17B10HPGD
SCHEMBL242002 0.72 NR4A2 (0.40) CHRM2CHRM4CHRM5ADRA2ACHRM1
SCHEMBL4986900 0.70 HTR1A (0.49) ADRA1D
SCHEMBL527640 0.70 HTR1A (0.39) LMNAADRA1DKDM4EMAPTALDH1A1
SCHEMBL13993581 0.67 PDE5A (0.44) LMNAADRA1DKDM4EMAPTHSD17B10
SCHEMBL7986573 0.65 MAPT (0.55) CHRM2CHRM4CHRM5ADRA2ACHRM1
SCHEMBL241926 0.65 HTR1A (0.40) LMNAADRA1DKDM4EMAPTALDH1A1
SCHEMBL240627 0.64 PDE5A (0.35) CHRM2CHRM4CHRM5ADRA2ACHRM1

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-2010088544-A1 METHODS TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-08-05 WO disclosed