SCHEMBL1030944

SCHEMBL1030944

O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2ncnc3nc[nH]c23)CC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 6/20 0.68
KIT P10721 3/20 0.58
PDGFRA P16234 1/20 0.58
FLT3 P36888 1/20 0.58
TRPV1 Q8NER1 1/20 0.55
GAA P10253 1/20 0.52
MAPT P10636 2/20 0.52
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PANK3 Q9H999 1/20 0.48
HTT P42858 2/20 0.47
HRH4 Q9H3N8 1/20 0.47
TP53 P04637 1/20 0.47
FAAH O00519 1/20 0.47

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
SCHEMBL1030943 0.86 PDGFRB (0.60) PDGFRBKITPDGFRAFLT3TRPV1
SCHEMBL7666887 0.85 PDGFRB (0.70) PDGFRBKITPDGFRAFLT3TRPV1
SCHEMBL1030346 0.83 PDGFRB (0.69) PDGFRBKITPDGFRAFLT3MAPT
SCHEMBL2297686 0.82 HTT (0.67) MAPTMAPK1HTTHRH4TP53
SCHEMBL1028741 0.81 PDGFRB (1.00) PDGFRBKITPDGFRAFLT3
SCHEMBL1031646 0.80 PDGFRB (0.75) PDGFRBKITFLT3MAPT
SCHEMBL2922171 0.78 PDGFRB (0.73) PDGFRBKITPDGFRAFLT3TRPV1
SCHEMBL7666881 0.77 TRPV1 (0.53) PDGFRBKITPDGFRAFLT3TRPV1
SCHEMBL28813844 0.76 GAA (0.85) TRPV1GAAMAPTMAPK1KDM4E
SCHEMBL2920567 0.75 PDGFRB (0.74) PDGFRBKITPDGFRAFLT3

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
EP-1067123-B1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2011-01-19 EP disclosed
US-6423716-B1 Nitrogenous heterocyclic compounds KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-07-23 US disclosed
EP-1067123-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-01-10 EP disclosed