SCHEMBL4969859

SCHEMBL4969859

O=C(NCc1ccccn1)c1cccc2ccncc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
HPGD P15428 4/20 0.59
LMNA P02545 3/20 0.56
HTT P42858 2/20 0.56
KDM4E B2RXH2 4/20 0.54
GLA P06280 1/20 0.54
RUNX1 Q01196 1/20 0.54
CBFB Q13951 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
HSD17B10 Q99714 2/20 0.53
POLB P06746 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PSMD14 O00487 1/20 0.50
STAMBP O95630 1/20 0.50
TP53 P04637 1/20 0.50
HDAC2 Q92769 1/20 0.49

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
SCHEMBL4969813 0.79 ALDH1A1 (0.64) ALDH1A1HPGDLMNAHTTKDM4E
SCHEMBL31522183 0.79 PIM1 (0.52) ALDH1A1HPGDLMNAPOLBMEN1
SCHEMBL27961959 0.77 PLK1 (0.65) POLBHDAC2
SCHEMBL31522168 0.76 PREP (0.49) ALDH1A1HPGDLMNAPOLBKMT2A
SCHEMBL9202857 0.76 HPGD (0.71) ALDH1A1HPGDLMNAHTTKDM4E
SCHEMBL11829949 0.76 LMNA (0.72) ALDH1A1HPGDLMNAHTTKDM4E
SCHEMBL5318951 0.75 CNR1 (0.67) ALDH1A1HPGDLMNAHTTKDM4E
SCHEMBL4907748 0.75 SORT1 (0.58) ALDH1A1HPGDLMNAHTTKDM4E
SCHEMBL6093501 0.74 HPGD (0.69) ALDH1A1HPGDLMNAHTTKDM4E
SCHEMBL7220820 0.74 HPGD (0.69) ALDH1A1HPGDLMNAHTTKDM4E

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-1973888-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-01 EP disclosed
WO-2007079162-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-07-12 WO disclosed