SCHEMBL17119830

SCHEMBL17119830

C/C(F)=N\Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
RAB9A P51151 3/20 0.47
GFER P55789 2/20 0.46
HTT P42858 1/20 0.42
MAPT P10636 9/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
XDH P47989 1/20 0.41
TAS2R38 P59533 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 2/20 0.40

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
SCHEMBL3086579 0.81 GAA (0.50) GAAKMT2AMEN1RAB9AGFER
SCHEMBL11674433 0.77 GAA (0.47) GAAKMT2AMEN1RAB9AGFER
SCHEMBL18774078 0.77 GAA (0.51) GAAKMT2AMEN1RAB9AGFER
SCHEMBL9883333 0.77 GAA (0.51) GAAKMT2AMEN1RAB9AGFER
SCHEMBL26537590 0.77 GAA (0.47) GAAKMT2AMEN1RAB9AGFER
SCHEMBL8977349 0.76 GAA (0.46) GAAKMT2AMEN1RAB9AGFER
SCHEMBL13345208 0.76 GAA (0.69) GAAKMT2AMEN1RAB9AGFER
SCHEMBL8977354 0.76 GAA (0.46) GAAKMT2AMEN1RAB9AGFER
SCHEMBL3273659 0.76 GAA (0.69) GAAKMT2AMEN1RAB9AGFER
SCHEMBL4413307 0.76 GAA (0.69) GAAKMT2AMEN1RAB9AGFER

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
WO-2015161037-A1 VERY LOW DENSITY METAL ORGANIC FRAMEWORKS WITH LARGE PORE VOLUMES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-10-22 WO disclosed
WO-2015142944-A2 MESOSCOPIC MATERIALS COMPRISED OF ORDERED SUPERLATTICES OF MICROPOROUS METAL-ORGANIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-09-24 WO disclosed