SCHEMBL7598313

SCHEMBL7598313

F[B]F.c1ccc2oc(Cc3nc4ccccc4o3)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
LMNA P02545 1/20 0.70
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
MAPT P10636 4/20 0.66
LOXL2 Q9Y4K0 1/20 0.58
HTT P42858 1/20 0.50
GFER P55789 1/20 0.50
PSMB8 P28062 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
SLC5A2 P31639 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41

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
SCHEMBL1420033 0.92 TP53 (0.81) TP53SMN1; SMN2LMNANPC1RAB9A
Fluoride SCHEMBL7598310 0.88 TP53 (0.75) TP53SMN1; SMN2LMNANPC1RAB9A
SCHEMBL7601049 0.82 SMN1; SMN2 (0.58) TP53SMN1; SMN2LMNANPC1RAB9A
SCHEMBL4650036 0.81 TP53 (0.89) TP53SMN1; SMN2LMNANPC1RAB9A
SCHEMBL155002 0.79 MAPT (1.00) TP53SMN1; SMN2LMNANPC1RAB9A
SCHEMBL3821992 0.79 SMN1; SMN2 (0.83) TP53SMN1; SMN2LMNANPC1RAB9A
SCHEMBL31265474 0.79 SMN1; SMN2 (0.83) TP53SMN1; SMN2LMNANPC1RAB9A
SCHEMBL13053140 0.78 SMN1; SMN2 (0.89) TP53SMN1; SMN2LMNANPC1RAB9A
SCHEMBL18526177 0.78 SMN1; SMN2 (0.60) TP53SMN1; SMN2LMNANPC1RAB9A
SCHEMBL2125047 0.76 NPC1 (0.70) TP53SMN1; SMN2LMNANPC1RAB9A

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-0747448-B1 Rigidized monomethine cyanine dyes UNIV CARNEGIE MELLON (US) 2002-11-06 EP disclosed
EP-0747448-A2 Rigidized monomethine cyanine dyes CARNEGIE-MELLON UNIVERSITY (US) 1996-12-11 EP disclosed