SCHEMBL5261107

SCHEMBL5261107

Cn1c(CNc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2)nc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.62
RAB9A P51151 15/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
GFER P55789 2/20 0.62
SMN1; SMN2 Q16637 9/20 0.55
KDM4E B2RXH2 4/20 0.55
TP53 P04637 4/20 0.55
ALDH1A1 P00352 4/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
ALOX15 P16050 1/20 0.55
GAA P10253 4/20 0.54
MAPT P10636 5/20 0.54
LMNA P02545 5/20 0.54
MAPK1 P28482 1/20 0.54
KLK1 P06870 1/20 0.49
KLK5 Q9Y337 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
Trifluoroacetic Acid SCHEMBL4842221 0.91 NPC1 (0.52) NPC1RAB9AKMT2AMEN1GFER
SCHEMBL4834899 0.80 MMP2 (0.43) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL5256405 0.77 NPC1 (0.34) NPC1RAB9AKMT2AMEN1GFER
SCHEMBL5258292 0.76 RAB9A (0.42) NPC1RAB9AKMT2AMEN1GFER
SCHEMBL4843210 0.76 ATM (0.50) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5259468 0.75 NPC1 (0.34) NPC1RAB9AKMT2A
SCHEMBL5258759 0.75 NPC1 (0.38) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL5256810 0.74 ABL1 (0.44) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5260119 0.74 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL5257911 0.74 KMT2A (0.41) NPC1RAB9AKMT2AMEN1ALDH1A1

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-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP claimed
EP-1539759-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES AstraZeneca AB (SE) 2005-06-15 EP claimed
WO-2004016611-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES ASTRAZENECA AB (SE) 2004-02-26 WO claimed