SCHEMBL527640

SCHEMBL527640

CC(C)C[Si](C)(C)OCCNc1ccnc2cc3c(cc12)OCO3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.39
ADRA1D P25100 8/20 0.39
ADRA1A P35348 8/20 0.39
ADRA1B P35368 8/20 0.39
FERMT2 Q96AC1 1/20 0.37
CYP1A2 P05177 1/20 0.36
PDE5A O76074 1/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
MITF O75030 1/20 0.35
HPGD P15428 1/20 0.35
SMARCA2 P51531 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
EHMT1 Q9H9B1 1/20 0.35
CCR1 P32246 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL3783903 0.84 HTR1A (0.40) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL238033 0.82 HTR1A (0.41) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL528353 0.82 CHRM2 (0.35) ADRA1DPDE5ALMNAKDM4EMAPT
SCHEMBL241926 0.77 HTR1A (0.40) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL4986900 0.77 HTR1A (0.49) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL241335 0.76 HTR1A (0.44) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL13993581 0.76 PDE5A (0.44) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL241983 0.76 FERMT2 (0.51) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL242051 0.74 MEN1 (0.55) MEN1LMNAPOLBKMT2AMITF
SCHEMBL243582 0.74 FERMT2 (0.61) HTR1AADRA1DADRA1AADRA1BFERMT2

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-2012015901-A1 METHODS FOR TREATING GASTRIC AND PANCREATIC MALIGNANCIES GENZYME CORPORATION (US) 2012-02-02 WO disclosed