SCHEMBL5337304

SCHEMBL5337304

c1ccc(-c2nnc(-c3ccc4c5nccnc5c5ccc(-c6nnc(-c7ccccc7)o6)nc5c4n3)o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.53
NPC1 O15118 12/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
ATAD2 Q6PL18 1/20 0.50
ATR Q13535 3/20 0.45
HPGD P15428 6/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
NOTUM Q6P988 2/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GLA P06280 1/20 0.44
ALOX15 P16050 1/20 0.44
TP53 P04637 2/20 0.42

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
SCHEMBL5340331 0.82 RAB9A (0.63) RAB9ANPC1SMN1; SMN2ATAD2ATR
SCHEMBL28098934 0.80 ATR (0.54) RAB9ANPC1SMN1; SMN2ATAD2ATR
SCHEMBL5337509 0.79 RAB9A (0.59) RAB9ANPC1SMN1; SMN2ATAD2HPGD
SCHEMBL11987265 0.78 PIM1 (0.45) RAB9ANPC1SMN1; SMN2ATAD2ATR
SCHEMBL11987320 0.75 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2ATAD2ATR
SCHEMBL11987337 0.75 ATR (0.49) RAB9ANPC1SMN1; SMN2ATAD2ATR
SCHEMBL11987326 0.74 ATR (0.48) RAB9ANPC1SMN1; SMN2ATAD2ATR
SCHEMBL29244073 0.73 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2ATAD2ATR
SCHEMBL46426 0.73 NPC1 (1.00) RAB9ANPC1SMN1; SMN2ATAD2HPGD
SCHEMBL2197011 0.73 RAB9A (0.65) RAB9ANPC1SMN1; SMN2ATAD2ATR

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
US-7282586-B1 Dipyridine-based compound and the use thereof LUMINESCENCE TECHNOLOGY CORP. (TW) 2007-10-16 US disclosed
US-7282586-B1 Dipyridine-based compound and the use thereof LUMINESCENCE TECHNOLOGY CORP. (TW) 2007-10-16 US disclosed
US-7282586-B1 Dipyridine-based compound and the use thereof LUMINESCENCE TECHNOLOGY CORP. (TW) 2007-10-16 US disclosed