SCHEMBL5302124

SCHEMBL5302124

O=C(Nc1ccccc1)c1nnc(Nc2ccc(Nc3ccccc3)cc2)o1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 17/20 0.71
SOAT1 P35610 1/20 0.53
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
GFER P55789 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 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
SCHEMBL4787021 0.92 DGAT1 (0.65) DGAT1SOAT1MEN1KMT2A
SCHEMBL5307790 0.88 DGAT1 (0.61) DGAT1SOAT1MEN1MAPTRAB9A
SCHEMBL3928136 0.85 DGAT1 (0.69) DGAT1SOAT1
SCHEMBL5300455 0.85 DGAT1 (0.58) DGAT1SOAT1RAB9ANPC1
SCHEMBL3542205 0.84 DGAT1 (1.00) DGAT1
SCHEMBL3543544 0.84 DGAT1 (0.77) DGAT1SOAT1
SCHEMBL3543543 0.84 DGAT1 (0.77) DGAT1SOAT1
SCHEMBL4788254 0.84 DGAT1 (0.62) DGAT1MEN1MAPTRAB9AKMT2A
SCHEMBL4788842 0.84 DGAT1 (0.62) DGAT1SOAT1MEN1RAB9AKMT2A
SCHEMBL5302933 0.84 DGAT1 (0.57) DGAT1MEN1RAB9AKMT2ATSHR

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-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed