SCHEMBL5480062

SCHEMBL5480062

C[Si](C)(C)C#Cc1ccc(Cc2ccc(N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
APP P05067 3/20 0.46
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL10535280 0.90 HRH3 (0.37) CYP3A4ALDH1A1TSHRTDP1HRH3
SCHEMBL2226274 0.88 APP (0.59) CYP3A4ALDH1A1TSHRTDP1APP
SCHEMBL2105428 0.86 APP (0.64) APPMAPTL3MBTL1NPC1RAB9A
SCHEMBL25222336 0.82 APP (0.52) CYP3A4ALDH1A1TDP1APPCYP17A1
SCHEMBL12314474 0.82 APP (0.70) CYP3A4ALDH1A1TSHRTDP1APP
SCHEMBL12314477 0.78 CYP3A4 (0.64) CYP3A4ALDH1A1TSHRTDP1APP
SCHEMBL1306384 0.77 GABRA1 (0.38) CYP3A4ALDH1A1TSHRAPPMAPT
SCHEMBL3254459 0.76 CYP2A6 (0.50) ALDH1A1TDP1L3MBTL1CA2
SCHEMBL4406774 0.76 LOXL2 (0.57) CYP3A4ALDH1A1CYP19A1MAPTLOXL2
SCHEMBL12438258 0.75 LTA4H (0.45) ALDH1A1TSHRTDP1MAPTL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263732-B2 Photo-alignment film and liquid crystal display element JNC CORPORATION (JP) 2012-09-11 US disclosed
US-20070232780-A1 PHOTO-ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2007-10-04 US disclosed