SCHEMBL16192536

SCHEMBL16192536

CCO[SiH](OCC)C(C)CNc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
DNM1 Q05193 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33

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
SCHEMBL3201225 0.81 MAPT (0.47) MAPTSMN1; SMN2NPSR1ALDH1A1TDP1
SCHEMBL18297303 0.77 MAPT (0.41) MAPTHTTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL6479794 0.75 TDP1 (0.47) SMN1; SMN2NPSR1ALDH1A1TDP1GAA
SCHEMBL4536056 0.74 MAPT (0.49) MAPTHTTSMN1; SMN2ALDH1A1TDP1
SCHEMBL1501527 0.73 SIGMAR1 (0.45)
SCHEMBL28658048 0.72 MAPT (0.44) MAPTSMN1; SMN2NPSR1ALDH1A1TDP1
SCHEMBL182877 0.71 MAPT (0.52) MAPTHTTSMN1; SMN2ALDH1A1TDP1
SCHEMBL935506 0.71 MAPT (0.49) MAPTHTTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL1854492 0.71 MAPT (0.40) MAPTHTTNPSR1ALDH1A1GAA
SCHEMBL3340543 0.70 SMN1; SMN2 (0.43) MAPTHTTSMN1; SMN2ALDH1A1HPGD

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
EP-2796493-A1 Composition comprising silylated polymers and polyhedral oligomeric metallo silsesquioxane HUNTSMAN INTERNATIONAL LLC (US) 2014-10-29 EP disclosed