SCHEMBL8773469

SCHEMBL8773469

Nc1nc2ccc(N=Nc3ccccc3)cc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 3/20 0.59
PI4KB Q9UBF8 3/20 0.59
PIK3CA P42336 2/20 0.59
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 2/20 0.55
HTT P42858 2/20 0.55
TP53 P04637 1/20 0.55
NOS3 P29474 2/20 0.52
NOS1 P29475 2/20 0.52
NOS2 P35228 2/20 0.52
AXL P30530 1/20 0.51
GFER P55789 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP3A4 P08684 3/20 0.50
PIK3CD O00329 2/20 0.49
PIK3CG P48736 2/20 0.49
PIP5K1C O60331 1/20 0.49

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
SCHEMBL8773467 1.00 PI4KA (0.59) PI4KAPI4KBPIK3CARAB9ANPC1
SCHEMBL19632084 0.77 RAB9A (0.51) PI4KAPI4KBPIK3CARAB9ANPC1
SCHEMBL8773471 0.75 PIK3CA (1.00) PI4KAPI4KBPIK3CARAB9ANPC1
SCHEMBL1677741 0.74 NOS3 (0.68) PI4KAPI4KBPIK3CARAB9ANPC1
SCHEMBL25303557 0.74 PI4KA (0.59) PI4KAPI4KBPIK3CARAB9ANPC1
SCHEMBL7284884 0.72 CYP3A4 (0.67) PI4KAPI4KBPIK3CARAB9ANPC1
SCHEMBL29646253 0.71 PIK3CA (0.82) PI4KAPI4KBPIK3CARAB9AMAPT
SCHEMBL334946 0.71 RAB9A (0.66) PI4KAPI4KBPIK3CARAB9ANPC1
SCHEMBL5532470 0.71 PIK3CA (0.82) PI4KAPI4KBPIK3CARAB9AMAPT
SCHEMBL7285684 0.71 RAB9A (1.00) PI4KAPI4KBPIK3CARAB9ANPC1

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
EP-0477373-B1 METAL CHELATE COMPOUND AND OPTICAL RECORDING MEDIUM COMPRISING THE SAME MITSUBISHI CHEM CORP (JP) 1997-11-05 EP disclosed
US-5231173-A DISAZO METAL CHELATE COMPOUNDS FOR OPTICAL RECORDING MEDIA MITSUBISHI KASEI CORPORATION (JP) 1993-07-27 US disclosed
EP-0477373-A1 METAL CHELATE COMPOUND AND OPTICAL RECORDING MEDIUM COMPRISING THE SAME Mitsubishi Chemical Corporation (JP) 1992-04-01 EP disclosed