SCHEMBL4969813

SCHEMBL4969813

O=C(NCc1ccccn1)c1cccc2cccnc12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
HPGD P15428 4/20 0.64
LMNA P02545 2/20 0.61
HTT P42858 1/20 0.61
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
KDM4E B2RXH2 3/20 0.57
HSD17B10 Q99714 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
EGLN1 Q9GZT9 1/20 0.55
PSMD14 O00487 1/20 0.54
STAMBP O95630 1/20 0.54
GLA P06280 1/20 0.52
RUNX1 Q01196 1/20 0.52
CBFB Q13951 1/20 0.52

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
SCHEMBL2203862 0.86 EGLN1 (0.74) ALDH1A1HPGDLMNAHTTRAB9A
SCHEMBL6983554 0.84 EGLN1 (0.76) HPGDLMNARAB9ANPC1MEN1
SCHEMBL7220820 0.81 HPGD (0.69) ALDH1A1HPGDLMNAHTTRAB9A
SCHEMBL6382378 0.81 HPGD (0.69) ALDH1A1HPGDLMNAHTTRAB9A
SCHEMBL9202857 0.80 HPGD (0.71) ALDH1A1HPGDLMNAHTTRAB9A
SCHEMBL11829949 0.80 LMNA (0.72) ALDH1A1HPGDLMNAHTTRAB9A
SCHEMBL4969859 0.79 ALDH1A1 (0.59) ALDH1A1HPGDLMNAHTTRAB9A
SCHEMBL2713994 0.79 NPC1 (0.47) ALDH1A1HPGDLMNAHTTRAB9A
SCHEMBL28239389 0.78 EGLN1 (0.60) HPGDRAB9ANPC1KDM4EMEN1
SCHEMBL7382937 0.78 EGLN1 (0.74) ALDH1A1HPGDLMNARAB9ANPC1

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 claimed
WO-2007079162-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-07-12 WO claimed