SCHEMBL4267398

SCHEMBL4267398

O=C1c2ccccc2Cc2nccn21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.45
GAA P10253 6/20 0.42
TLR9 Q9NR96 2/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 8/20 0.42
MAOA P21397 1/20 0.41
CASP6 P55212 6/20 0.40
MEN1 O00255 5/20 0.40
APAF1 O14727 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
BCHE P06276 1/20 0.39
CES1 P23141 1/20 0.39
CASP3 P42574 2/20 0.39
SENP8 Q96LD8 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP6 Q9GZR1 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 2/20 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
SCHEMBL4019735 0.75 HPGD (0.34) HPGD
SCHEMBL10953407 0.74 AHR (0.47) KMT2AMEN1MAPTRAB9ABLM
SCHEMBL11842455 0.69 POLB (0.41) GAAPKMKMT2AMEN1ALDH1A1
SCHEMBL5791958 0.68 HRH1 (0.38) PKMALDH1A1MAPTHPGDRAB9A
SCHEMBL11814492 0.67 ALDH1A1 (0.41) GAAPKMKMT2AMAOAMEN1
SCHEMBL10953852 0.67 NPC1 (0.46) KMT2AMEN1MAPTRAB9ABLM
SCHEMBL10955779 0.65 HRH4 (0.34) GAA
SCHEMBL10780626 0.63 SRD5A1 (0.41) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL6987062 0.62 DRD2 (0.46) MAOA
SCHEMBL3358267 0.62 RNASEH1 (1.00) RNASEH1GAATLR9PKMKMT2A

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-2069353-A1 POLYCYCLIC AGENTS FOR THE TREATMENT OF RESPIRATORY SYNCYTIAL VIRUS INFECTIONS BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2009-06-17 EP disclosed
WO-2008037011-A1 POLYCYCLIC AGENTS FOR THE TREATMENT OF RESPIRATORY SYNCYTIAL VIRUS INFECTIONS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2008-04-03 WO disclosed