SCHEMBL10409243

SCHEMBL10409243

CCCCCCCCCCCNc1ccccc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.67
MAPT P10636 2/20 0.67
P2RX7 Q99572 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.45
CHRM2 P08172 2/20 0.45
LMNA P02545 2/20 0.44
S1PR2 O95136 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CNR2 P34972 2/20 0.44
KCNH3 Q9ULD8 1/20 0.44
ADRA2C P18825 1/20 0.43
RECQL P46063 1/20 0.43
HDAC1 Q13547 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
NAAA Q02083 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL28223158 1.00 HTT (0.67) HTTMAPTP2RX7L3MBTL1GAA
SCHEMBL30945806 1.00 HTT (0.67) HTTMAPTP2RX7L3MBTL1GAA
SCHEMBL11508665 1.00 HTT (0.67) HTTMAPTP2RX7L3MBTL1GAA
SCHEMBL25278390 1.00 HTT (0.67) HTTMAPTP2RX7L3MBTL1GAA
SCHEMBL10407897 1.00 HTT (0.67) HTTMAPTP2RX7L3MBTL1GAA
SCHEMBL25229719 1.00 HTT (0.67) HTTMAPTP2RX7L3MBTL1GAA
SCHEMBL3689657 1.00 HTT (0.67) HTTMAPTP2RX7L3MBTL1GAA
SCHEMBL3682496 1.00 HTT (0.67) HTTMAPTP2RX7L3MBTL1GAA
SCHEMBL3631573 1.00 HTT (0.67) HTTMAPTP2RX7L3MBTL1GAA
SCHEMBL3678590 1.00 HTT (0.67) HTTMAPTP2RX7L3MBTL1GAA

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
US-4925984-A REACTION WITH BROMINE IN SOLUTION ETHYL CORPORATION (US) 1990-05-15 US disclosed