SCHEMBL5144352

SCHEMBL5144352

NC(=O)C1(Cc2ccccc2)CCCN1c1cc(NCc2ccccc2)ncn1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 3/20 0.52
HRH4 Q9H3N8 1/20 0.49
METTL3 Q86U44 5/20 0.43
METTL14 Q9HCE5 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
PRCP P42785 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
CYP2D6 P10635 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
FAAH O00519 1/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP3A4 P08684 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
SCHEMBL5087859 0.78 AURKA (0.40) SMN1; SMN2FAAH
SCHEMBL5141385 0.75 NPSR1 (0.38) PIK3CBHRH4METTL3SMN1; SMN2ALDH1A1
SCHEMBL5029686 0.73 PIK3CB (0.80) PIK3CBHRH4METTL3SMN1; SMN2PRCP
SCHEMBL5029684 0.69 PIK3CB (1.00) PIK3CBHRH4ALDH1A1
SCHEMBL15112017 0.69 FAAH (0.44) ALDH1A1FAAH
SCHEMBL14005277 0.67 HRH4 (0.65) PIK3CBHRH4METTL3SMN1; SMN2ALDH1A1
SCHEMBL9288430 0.66
SCHEMBL28506603 0.66
SCHEMBL28506600 0.66
SCHEMBL9286326 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2008210-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2008-12-31 EP disclosed
WO-2007105023-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2007-09-20 WO disclosed