SCHEMBL807944

SCHEMBL807944

C=C(/N=C(N)\N=C(/N)c1noc(C(=O)N2CCOCC2)n1)Nc1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KCNH2 Q12809 1/20 0.38
PIK3CD O00329 1/20 0.38
AKT1 P31749 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
BTK Q06187 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
NTRK1 P04629 2/20 0.37
HTT P42858 2/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 2/20 0.35
EPHX2 P34913 1/20 0.35
LMNA P02545 2/20 0.35
ENPP2 Q13822 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL807781 0.93 ALDH1A1 (0.40) ALDH1A1CYP3A4SMN1; SMN2USP2MAPT
SCHEMBL808315 0.86 SMN1; SMN2 (0.39) MEN1KMT2AKCNH2HTTLMNA
SCHEMBL808319 0.80 NPC1 (0.43) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL10287136 0.71 ALDH1A1 (0.41) MEN1KMT2AALDH1A1HTTHSD17B10
SCHEMBL15477324 0.69 MAPK1 (0.49) MEN1KMT2ABTKALDH1A1NTRK1
SCHEMBL20237020 0.67 SMN1; SMN2 (0.68) MEN1KMT2AALDH1A1CYP3A4NPC1
SCHEMBL807957 0.64 LMNA (0.41) MEN1KMT2AKCNH2ALDH1A1HTT
SCHEMBL10287533 0.62 ADRA2A (0.33) ALDH1A1
SCHEMBL6992760 0.61 ALDH1A1 (0.64) ALDH1A1HTTEPHX2LMNANPC1
SCHEMBL10287195 0.59 MTOR (0.42) MEN1KMT2AKCNH2NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed