SCHEMBL17565744

SCHEMBL17565744

C[Si](O)(O)CCCNC(=S)Nc1ccc(N=C=S)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 2/20 0.77
ALDH1A1 P00352 6/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
LMNA P02545 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
ADORA1 P30542 3/20 0.43
HTT P42858 3/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL19057215 0.84 P2RY6 (0.81) P2RY6ALDH1A1KMT2AMAPTMEN1
SCHEMBL13326826 0.82 P2RY6 (0.83) P2RY6ALDH1A1KMT2AMAPTMEN1
SCHEMBL21767236 0.81 P2RY6 (0.81) P2RY6ALDH1A1KMT2AMAPTMEN1
SCHEMBL15739655 0.81 P2RY6 (0.75) P2RY6ALDH1A1KMT2AMAPTMEN1
SCHEMBL17565745 0.80 LMNA (0.51) P2RY6ALDH1A1KMT2AMAPTMEN1
SCHEMBL3913796 0.79 P2RY6 (0.78) P2RY6ALDH1A1KMT2AMAPTMEN1
SCHEMBL14605344 0.79 P2RY6 (0.72) P2RY6ALDH1A1KMT2AMAPTMEN1
SCHEMBL21945560 0.77 P2RY6 (0.70) P2RY6ALDH1A1KMT2AMAPTMEN1
SCHEMBL19732544 0.77 P2RY6 (0.69) P2RY6ALDH1A1KMT2AMAPTMEN1
SCHEMBL22214972 0.76 P2RY6 (0.67) P2RY6ALDH1A1KMT2AMAPTMEN1

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
US-20160068894-A1 RNA Microchip Detection Using Nanoparticle-Assisted Signal Amplification GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2016-03-10 US disclosed