SCHEMBL1508028

SCHEMBL1508028

Cn1ccc2cc(-c3nc4cccnc4o3)cnc21

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.69
TP53 P04637 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
SGMS2 Q8NHU3 9/20 0.38
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL18211386 0.82 APP (0.76) APP
SCHEMBL1507879 0.82 APP (0.76) APP
SCHEMBL29375251 0.81 APP (1.00) APP
SCHEMBL1614417 0.81 APP (1.00) APP
SCHEMBL12268073 0.81 APP (1.00) APP
SCHEMBL12317126 0.81 APP (0.74) APP
SCHEMBL19154810 0.75 APP (0.62) APPTP53HPGDSMN1; SMN2HSD17B10
SCHEMBL13052998 0.74 ALDH1A1 (0.52) TP53HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL18806907 0.74 APP (1.00) APP
SCHEMBL29680823 0.72 KDM4E (0.46) TP53HPGDSMN1; SMN2HSD17B10KDM4E

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
JP-2011524864-A 2011-09-08 JP claimed
EP-2300481-A2 NOVEL SUBSTITUTED AZABENZOXAZOLES Merck Sharp & Dohme Corp. (US) 2011-03-30 EP claimed
WO-2009155017-A2 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK & CO., INC. (US) 2009-12-23 WO claimed