SCHEMBL10500366

SCHEMBL10500366

N#CC(O)CNc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DNM1 Q05193 2/20 0.44
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.40
ADRB2 P07550 2/20 0.38
KDM4E B2RXH2 2/20 0.37
BCHE P06276 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 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
SCHEMBL17137799 0.80 MAPT (0.49) MAPTHTTSMN1; SMN2DNM1ALDH1A1
SCHEMBL17137784 0.80 MAPT (0.49) MAPTHTTSMN1; SMN2DNM1ALDH1A1
SCHEMBL10401926 0.80 MAPT (0.49) MAPTHTTSMN1; SMN2DNM1ALDH1A1
SCHEMBL5863090 0.80 MAPT (0.49) MAPTHTTSMN1; SMN2DNM1ALDH1A1
SCHEMBL11227788 0.79 ALDH1A1 (0.43) MAPTHTTSMN1; SMN2DNM1TSHR
SCHEMBL28047682 0.78 MAPT (0.51) MAPTHTTSMN1; SMN2DNM1ALDH1A1
SCHEMBL28047683 0.78 MAPT (0.51) MAPTHTTSMN1; SMN2DNM1TSHR
SCHEMBL168120 0.76 MAPT (0.57) MAPTHTTSMN1; SMN2DNM1ALDH1A1
SCHEMBL7277860 0.76 MAPT (0.68) MAPTHTTSMN1; SMN2DNM1ALDH1A1
SCHEMBL29655470 0.76 MAPT (0.41) MAPTHTTSMN1; SMN2DNM1TSHR

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-4835180-A N-(ω-cyanoalkyl)aminophenols and use as inhibitors of lipoxygenase activity STERLING DRUG INC. (US) 1989-05-30 US disclosed
EP-0262618-A2 N-(omega)-cyanoalkyl)aminophenols, and their preparation STERLING DRUG INC. (US) 1988-04-06 EP disclosed