SCHEMBL797912

SCHEMBL797912

O=C(O)c1ncccc1-c1cnno1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
AGER Q15109 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.41
MYC P01106 1/20 0.39
NAPRT Q6XQN6 3/20 0.38
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.35
BRS3 P32247 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
P4HTM Q9NXG6 1/20 0.33

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
SCHEMBL798382 0.86 MKNK1 (0.38) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL798359 0.76 KCNA5 (0.47)
SCHEMBL15231432 0.74 KDM4E (0.49) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL2576181 0.73 NPC1 (0.38) KDM4EALDH1A1MAPTNPSR1CYP1A2
SCHEMBL3390642 0.72 KDM4E (0.59) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL15880924 0.71 KDM4E (0.45) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL287699 0.71 KDM4E (0.57) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL18143574 0.69 KDM4E (0.46) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL2883986 0.69 SMN1; SMN2 (0.47) ALDH1A1MAPTL3MBTL1CYP3A4TSHR
SCHEMBL9405123 0.68 KDM4E (0.53) KDM4EALDH1A1MAPTL3MBTL1CYP3A4

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-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed