SCHEMBL9218239

SCHEMBL9218239

CCN(CC)C(C)c1c[nH]c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 5/20 0.45
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
HTR1A P08908 3/20 0.40
HTR1D P28221 3/20 0.40
HTR1B P28222 3/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
GAA P10253 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HTT P42858 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL9214509 0.91 HTR1D (0.43) SMN1; SMN2KDM4EMAPTMEN1KMT2A
SCHEMBL9218967 0.84 HTR2A (0.44) SMN1; SMN2KDM4EMAPTMEN1KMT2A
SCHEMBL9278907 0.81 HTR1A (0.60) SMN1; SMN2KDM4EMEN1KMT2AHTR1A
SCHEMBL9210878 0.81 HTR1A (0.38) SMN1; SMN2MAPTMEN1KMT2AHTR1A
SCHEMBL27439204 0.80 MAPT (0.46) SMN1; SMN2KDM4EMAPTMEN1KMT2A
SCHEMBL9218246 0.77 HTR1A (0.69) MAPTHTR1AHTR1DHTR1BHTR2A
SCHEMBL30181833 0.74 KDM4E (0.49) SMN1; SMN2KDM4EMAPTMEN1KMT2A
SCHEMBL9213440 0.69 HTR2A (0.45) SMN1; SMN2KDM4EMAPTHTR1DHTR1B
SCHEMBL9214511 0.69 HTR1D (0.73) MAPTHTR1AHTR1DHTR1BGAA
SCHEMBL9272892 0.68 HTR1D (0.60) KMT2AHTR1AHTR1DHTR1BHTR2A

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-1995000478-A1 ARYLTRIFLATES AND RELATED COMPOUNDS LUNDBECK & CO AS H (DK) 1995-01-05 WO disclosed