SCHEMBL8109540

SCHEMBL8109540

OC(CCc1cccnc1)COc1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.50
MMP12 P39900 2/20 0.48
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.46
P2RX7 Q99572 1/20 0.46
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PTAFR P25105 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL8479732 1.00 MEN1 (0.52) MEN1KMT2AALDH1A1MMP12MAPT
SCHEMBL8481421 1.00 MEN1 (0.52) MEN1KMT2AALDH1A1MMP12MAPT
SCHEMBL8477371 0.95 CYP19A1 (0.50) MEN1KMT2AALDH1A1MMP12MAPT
SCHEMBL6949036 0.92 MEN1 (0.53) MEN1KMT2AALDH1A1MAPK1CYP2D6
SCHEMBL8477891 0.91 MEN1 (0.55) MEN1KMT2AALDH1A1MMP12MAPK1
SCHEMBL7829883 0.90 MEN1 (0.45) MEN1KMT2AALDH1A1MMP12MAPT
SCHEMBL8552140 0.90 MEN1 (0.45) MEN1KMT2AALDH1A1MMP12CYP3A4
SCHEMBL7829887 0.90 MEN1 (0.45) MEN1KMT2AALDH1A1MMP12MAPT
SCHEMBL8482114 0.90 NPC1 (0.48) MEN1KMT2AALDH1A1MMP12MAPT
SCHEMBL8476865 0.90 MEN1 (0.45) MEN1KMT2AALDH1A1MMP12CYP3A4

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
EP-1037889-A1 NOVEL COMPOUNDS AstraZeneca UK Limited (GB) 2000-09-27 EP disclosed
US-5977105-A Compounds ASTRA PHARMAEUTICALS LTD. (GB) 1999-11-02 US disclosed
WO-1999029686-A1 NOVEL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 1999-06-17 WO disclosed
EP-0865431-A2 COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-09-23 EP disclosed
WO-1997020815-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-06-12 WO disclosed