SCHEMBL10554348

SCHEMBL10554348

NCc1ccc2[nH]cc(CCN3C(=O)c4ccccc4C3=O)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.70
MAPT P10636 6/20 0.68
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
LMNA P02545 4/20 0.61
TDP1 Q9NUW8 2/20 0.61
HTT P42858 1/20 0.61
TP53 P04637 1/20 0.61
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
HTR1D P28221 4/20 0.52
HTR1B P28222 4/20 0.52
HPGD P15428 1/20 0.49
HTR1A P08908 3/20 0.47
PRKCB P05771 1/20 0.44
PRKCA P17252 1/20 0.44
HTR5A P47898 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL10741943 0.93 MAPT (0.71) GAAMAPTMEN1KMT2ANPC1
SCHEMBL10773888 0.92 GAA (0.69) GAAMAPTMEN1KMT2ANPC1
SCHEMBL10716615 0.86 GAA (0.68) GAAMAPTMEN1KMT2ANPC1
SCHEMBL10494781 0.86 MAPT (0.66) GAAMAPTMEN1KMT2ANPC1
SCHEMBL10716480 0.86 GAA (0.67) GAAMAPTMEN1KMT2ANPC1
Methane SCHEMBL10718816 0.85 GAA (0.67) GAAMAPTMEN1KMT2ANPC1
SCHEMBL2535334 0.85 GAA (0.73) GAAMAPTMEN1KMT2ANPC1
SCHEMBL10716519 0.85 GAA (0.69) GAAMAPTMEN1KMT2ANPC1
SCHEMBL10747542 0.83 GAA (0.64) GAAMAPTMEN1KMT2ANPC1
SCHEMBL10745299 0.83 GAA (0.64) GAAMAPTMEN1KMT2ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4839377-A TREATMENT OF MIGRAINE GLAXO GROUP LIMITED (GB) 1989-06-13 US disclosed
US-4672067-A 5-substituted 3-aminoalkyl indoles useful in treatment of migraine GLAXO GROUP LIMITED (GB) 1987-06-09 US disclosed
US-4636521-A ANALGESICS GLAXO GROUP LIMITED (GB) 1987-01-13 US disclosed