SCHEMBL8697225

SCHEMBL8697225

OC(c1cncnc1)c1ccccc1-c1ccco1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
PIK3R1 P27986 2/20 0.36
PIK3CA P42336 2/20 0.36
ADRB3 P13945 1/20 0.35
MAOB P27338 1/20 0.35
CASP1 P29466 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
ALOX15 P16050 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 3/20 0.33
PKM P14618 2/20 0.33
PTPN7 P35236 2/20 0.33
RECQL P46063 2/20 0.33
BLM P54132 2/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL8702207 0.82 PIK3R1 (0.36) PIK3R1PIK3CAADRB3MAOBCASP1
SCHEMBL8698099 0.77 KCNA5 (0.36) GAACASP1ALDH1A1HPGDCASP7
SCHEMBL11136545 0.76 ATM (0.44) GAAMEN1ALDH1A1MAPTHPGD
SCHEMBL8696579 0.75 MAOB (0.46) MAOBKDM4EMEN1ALDH1A1MAPT
SCHEMBL7117345 0.73 MAPT (0.40) GAAPIK3R1PIK3CAMAOBCASP1
SCHEMBL23003718 0.71 GAA (0.45) GAAPIK3CAKDM4EMEN1ALDH1A1
SCHEMBL11279506 0.70 POLB (0.42) MAOBCASP1KDM4EMEN1ALDH1A1
SCHEMBL14602504 0.70 MAPT (0.42) MAOBCASP1KDM4EMEN1ALDH1A1
SCHEMBL3061790 0.69 GAA (0.44) GAAKDM4EMAPTHPGDBLM
SCHEMBL8745914 0.69 ACP3 (0.43) GAAMEN1ALDH1A1ALOX15KMT2A

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
WO-1998018791-A1 HETEROCYCLIC FURAN COMPOUNDS, THEIR PREPARATION AND USE AS AROMATASE INHIBITORS A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1998-05-07 WO claimed
WO-1998018791-A1 HETEROCYCLIC FURAN COMPOUNDS, THEIR PREPARATION AND USE AS AROMATASE INHIBITORS A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1998-05-07 WO disclosed