SCHEMBL10143641

SCHEMBL10143641

COc1ccc(Nc2nc(Nc3cc(C)ccc3C)nc(N3CCN(c4ccccc4)CC3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
MAPK1 P28482 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TDP1 Q9NUW8 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
GALR2 O43603 6/20 0.57
GALR1 P47211 3/20 0.55
CYP3A4 P08684 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
HTT P42858 1/20 0.52
CYBB P04839 1/20 0.51
NOX5 Q96PH1 1/20 0.51
NOX3 Q9HBY0 1/20 0.51
NOX4 Q9NPH5 1/20 0.51
NOX1 Q9Y5S8 1/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL10143595 0.89 GALR2 (0.58) MAPTMAPK1SMN1; SMN2TDP1MEN1
SCHEMBL10143494 0.89 MAPT (0.61) MAPTMAPK1SMN1; SMN2TDP1MEN1
SCHEMBL10143745 0.88 GALR2 (0.73) MAPTMAPK1SMN1; SMN2TDP1MEN1
SCHEMBL10143492 0.86 GALR2 (0.59) MAPTMAPK1SMN1; SMN2TDP1MEN1
SCHEMBL10143650 0.86 CTSL (0.61) MAPTMAPK1SMN1; SMN2TDP1MEN1
SCHEMBL10143490 0.85 GALR2 (0.52) MAPTMAPK1SMN1; SMN2TDP1MEN1
SCHEMBL10143739 0.85 GALR2 (0.58) MAPTMAPK1SMN1; SMN2TDP1MEN1
SCHEMBL10143600 0.82 GALR2 (0.63) MAPTMAPK1SMN1; SMN2TDP1MEN1
SCHEMBL10143663 0.81 GALR2 (0.51) MAPTMAPK1SMN1; SMN2TDP1MEN1
SCHEMBL10143511 0.77 MAPT (0.69) MAPTMAPK1SMN1; SMN2TDP1MEN1

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-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 WO disclosed