SCHEMBL6684549

SCHEMBL6684549

C[Si](C)(C)c1cc(N)cc(N)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
CYP3A4 P08684 3/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 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
SCHEMBL8345905 0.94 ALDH1A1 (0.40) ALDH1A1TSHRCYP3A4TP53MAPT
SCHEMBL20663118 0.84 ALDH1A1 (0.60) ALDH1A1TSHRMAPTKDM4EMEN1
SCHEMBL31365273 0.82 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL28963882 0.82 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL21327974 0.82 ALDH1A1 (0.36) ALDH1A1TSHRCYP3A4CASP1TDP1
SCHEMBL23795526 0.78
SCHEMBL4215545 0.75 NR1H2 (0.32)
SCHEMBL30825584 0.73 CYP3A4 (0.52) ALDH1A1TSHRCYP3A4CASP1RECQL
SCHEMBL1172290 0.73 CYP3A4 (0.52) ALDH1A1TSHRCYP3A4CASP1RECQL
Methylamine SCHEMBL28176622 0.71 ALDH1A1 (0.57) ALDH1A1TSHRCYP3A4CASP1RECQL

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
JP-2004224889-A GAS-PERMEABLE POLYIMIDE FILM AND METHOD FOR PRODUCING THE SAME MITSUBISHI RAYON CO LTD 2004-08-12 JP disclosed