SCHEMBL1006640

SCHEMBL1006640

O=C(O)N(Br)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
MAPT P10636 3/20 0.43
PARP1 P09874 1/20 0.41
HTT P42858 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 2/20 0.41
BCL2A1 Q16548 1/20 0.39
TSHR P16473 2/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
CASP1 P29466 1/20 0.38

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
SCHEMBL2554880 0.77 ALOX15 (0.46) MAPTRAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL31715773 0.77 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2094701 0.77 NPSR1 (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2096198 0.77 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11260248 0.77 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1704182 0.77 CES2 (0.44) PARP1RAB9AALDH1A1KMT2AMEN1
SCHEMBL1704086 0.77 RAB9A (0.49) PARP1HTTRAB9AALDH1A1SMN1; SMN2
SCHEMBL3042400 0.77 NPSR1 (0.50) HTTRAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL1010292 0.75 MT-CO2 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10635958 0.75 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558069-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF Novartis AG (CH) 2013-02-20 EP disclosed
EP-2440245-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES Novartis AG (CH) 2012-04-18 EP disclosed
WO-2011130379-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF NOVARTIS AG (CH) 2011-10-20 WO disclosed
EP-2268618-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-01-05 EP disclosed
WO-2010144734-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES NOVARTIS AG (CH) 2010-12-16 WO disclosed
WO-2009111337-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2009-09-11 WO disclosed