SCHEMBL9803306

SCHEMBL9803306

C1CN(c2nc(N3CCC3)nc(N3CCC3)n2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.59
USP2 O75604 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPK1 P28482 4/20 0.56
ALDH1A1 P00352 3/20 0.56
NPC1 O15118 1/20 0.56
GALR3 O60755 1/20 0.56
TP53 P04637 1/20 0.56
RAB9A P51151 1/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
HTT P42858 1/20 0.54
RECQL P46063 1/20 0.54
ATM Q13315 1/20 0.54
LMNA P02545 3/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 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
SCHEMBL1975340 0.93 HRH1 (0.70) HRH1SMN1; SMN2USP2TDP1MAPK1
SCHEMBL11208162 0.90 SMN1; SMN2 (0.71) HRH1SMN1; SMN2USP2TDP1MAPK1
SCHEMBL9730702 0.87 SMN1; SMN2 (0.68) HRH1SMN1; SMN2USP2TDP1MAPK1
Triethylenemelamine SCHEMBL8359 0.85 HRH1 (0.52) HRH1SMN1; SMN2USP2TDP1MAPK1
SCHEMBL17351867 0.80 HRH1 (0.77) HRH1SMN1; SMN2USP2TDP1MAPK1
SCHEMBL9224600 0.80 HRH1 (0.56) HRH1SMN1; SMN2USP2TDP1MAPK1
SCHEMBL12341499 0.80 HRH4 (0.50) HRH1SMN1; SMN2USP2TDP1MAPK1
SCHEMBL9073359 0.80 HRH1 (0.56) HRH1SMN1; SMN2USP2TDP1MAPK1
SCHEMBL3027569 0.80 HRH4 (0.50) HRH1SMN1; SMN2USP2TDP1ALDH1A1
SCHEMBL1090112 0.78 SMN1; SMN2 (0.58) HRH1SMN1; SMN2USP2TDP1MAPK1

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
US-4985584-A RING OPENING REACTION WITH N2O4 OR N2O5 SECRETARY OF STATE FOR DEFENCE (GB) 1991-01-15 US claimed
EP-0223440-B1 A PROCESS FOR THE PRODUCTION OF HIGH ENERGY MATERIAL The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1991-03-06 EP disclosed
US-4985584-A RING OPENING REACTION WITH N2O4 OR N2O5 SECRETARY OF STATE FOR DEFENCE (GB) 1991-01-15 US disclosed
EP-0223440-A1 A process for the production of high energy material The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1987-05-27 EP disclosed