SCHEMBL5340331

SCHEMBL5340331

c1ccc(-c2nnc(-c3ccc4ccc5ccc(-c6nnc(-c7ccccc7)o6)nc5c4n3)o2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 15/20 0.63
NPC1 O15118 14/20 0.63
SMN1; SMN2 Q16637 10/20 0.63
ATAD2 Q6PL18 1/20 0.53
HPGD P15428 7/20 0.52
NFKB1 P19838 3/20 0.52
NFKB2 Q00653 3/20 0.52
RELA Q04206 3/20 0.52
POLB P06746 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 5/20 0.50
MAPT P10636 2/20 0.50
HSD17B10 Q99714 2/20 0.50
GLA P06280 1/20 0.50
ALOX15 P16050 1/20 0.50
NOTUM Q6P988 2/20 0.48
LMNA P02545 1/20 0.47
TSHR P16473 4/20 0.47

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
SCHEMBL5337509 0.96 RAB9A (0.59) RAB9ANPC1SMN1; SMN2ATAD2HPGD
SCHEMBL11987251 0.89 RAB9A (0.49) RAB9ANPC1SMN1; SMN2ATAD2HPGD
SCHEMBL28098934 0.87 ATR (0.54) RAB9ANPC1SMN1; SMN2ATAD2HPGD
SCHEMBL5337304 0.82 RAB9A (0.53) RAB9ANPC1SMN1; SMN2ATAD2HPGD
SCHEMBL11987320 0.82 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2ATAD2HPGD
SCHEMBL11987261 0.81 RAB9A (0.45) RAB9ANPC1SMN1; SMN2ATAD2HPGD
SCHEMBL11987337 0.81 ATR (0.49) RAB9ANPC1SMN1; SMN2ATAD2HPGD
SCHEMBL11987326 0.80 ATR (0.48) RAB9ANPC1SMN1; SMN2ATAD2HPGD
SCHEMBL46426 0.79 NPC1 (1.00) RAB9ANPC1SMN1; SMN2ATAD2HPGD
SCHEMBL2197011 0.79 RAB9A (0.65) RAB9ANPC1SMN1; SMN2ATAD2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 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
US-7282586-B1 Dipyridine-based compound and the use thereof LUMINESCENCE TECHNOLOGY CORP. (TW) 2007-10-16 US disclosed