SCHEMBL5029686

SCHEMBL5029686

c1ccc(CNc2cc(N3CCCC3)ncn2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 3/20 0.80
HRH4 Q9H3N8 2/20 0.80
ACHE P22303 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
CYP1A2 P05177 3/20 0.54
CYP2D6 P10635 3/20 0.54
CYP2C19 P33261 3/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
TSHR P16473 3/20 0.52
NPC1 O15118 1/20 0.52
RECQL P46063 1/20 0.52
RAB9A P51151 1/20 0.52
METTL3 Q86U44 1/20 0.51
MAPK1 P28482 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
PRCP P42785 2/20 0.50
MAPK8 P45983 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
SCHEMBL5029684 0.89 PIK3CB (1.00) PIK3CBHRH4ACHEALDH1A1HTT
SCHEMBL4896185 0.88 HRH4 (0.75) PIK3CBHRH4ACHECYP1A2CYP2D6
SCHEMBL14005278 0.82 HRH4 (0.73) PIK3CBHRH4ACHECYP1A2CYP2D6
SCHEMBL1774199 0.81 HRH4 (0.66) PIK3CBHRH4SMN1; SMN2CYP1A2CYP2D6
SCHEMBL14005277 0.81 HRH4 (0.65) PIK3CBHRH4ACHESMN1; SMN2CYP1A2
SCHEMBL8798290 0.79 SMN1; SMN2 (0.59) PIK3CBHRH4SMN1; SMN2MEN1ALDH1A1
SCHEMBL31660945 0.78 SMN1; SMN2 (0.61) PIK3CBHRH4SMN1; SMN2MEN1ALDH1A1
SCHEMBL15721555 0.77 ACHE (0.64) PIK3CBHRH4ACHECYP1A2CYP2D6
SCHEMBL6244393 0.76 HRH4 (0.60) PIK3CBHRH4ACHESMN1; SMN2CYP1A2
SCHEMBL3231445 0.75 MMP13 (0.67) PIK3CBHRH4SMN1; SMN2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101438288-A Regulation of phosphoryl transferase activity of glutamine synthetase CSIR CORP (ZA) 2009-05-20 CN disclosed
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
WO-2007105023-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2007-09-20 WO disclosed