SCHEMBL3213671

SCHEMBL3213671

CCCCCCCCCc1cc[c]cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LIPG Q9Y5X9 1/20 0.38
TYR P14679 2/20 0.37
TP53 P04637 2/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
ALOX5 P09917 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
ESR1 P03372 2/20 0.33
ADRA2A P08913 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
TACR2 P21452 2/20 0.33
SLC6A2 P23975 2/20 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
SCHEMBL6327810 0.93 ALDH1A1 (0.35) TSHRHSD17B10TYRMEN1MAPT
SCHEMBL16959951 0.86 AR (0.34) MEN1KMT2A
SCHEMBL4868376 0.80 LIPG (0.43) TSHRHSD17B10LIPGTYRTP53
SCHEMBL829393 0.80 LIPG (0.43) TSHRHSD17B10LIPGTYRTP53
SCHEMBL828966 0.80 LIPG (0.43) TSHRHSD17B10LIPGTYRTP53
SCHEMBL1334347 0.80 LIPG (0.43) TSHRHSD17B10LIPGTYRTP53
SCHEMBL4865770 0.80 LIPG (0.43) TSHRHSD17B10LIPGTYRTP53
SCHEMBL1335248 0.80 LIPG (0.43) TSHRHSD17B10LIPGTYRTP53
SCHEMBL4863392 0.80 LIPG (0.43) TSHRHSD17B10LIPGTYRTP53
SCHEMBL677099 0.78 LIPG (0.40) TSHRHSD17B10LIPGTYRTP53

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
WO-2010008775-A1 AMINOPYRIDOPYRAZINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO disclosed