SCHEMBL9826844

SCHEMBL9826844

COc1cc(O)c(O)c2ccncc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
CYP3A4 P08684 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALOX15 P16050 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PDGFRB P09619 2/20 0.40
PDGFRA P16234 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CASP1 P29466 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL9826867 0.93 MAOA (0.46) MAOAHIF1AEPAS1CYP3A4KDM4E
SCHEMBL28171176 0.80 ERN1 (0.51) MAOACYP3A4KDM4EALDH1A1MAPT
SCHEMBL9828244 0.77 EP300 (0.47) KDM4EPDGFRBPDGFRAEP300KAT2B
SCHEMBL17193033 0.77 ADORA3 (0.44) HIF1ACYP3A4KDM4EALOX15ALDH1A1
SCHEMBL7622167 0.76 EP300 (0.56) HIF1AEPAS1CYP3A4KDM4EALOX15
SCHEMBL12426316 0.75 MAOA (0.52) MAOAKDM4EALDH1A1MAPTHPGD
SCHEMBL9827598 0.75 MAOA (0.62) MAOACYP3A4KDM4EALOX15ALDH1A1
SCHEMBL9827318 0.74 EP300 (0.52) KDM4EPDGFRBPDGFRAEP300KAT2B
SCHEMBL17193017 0.73 HIPK2 (0.44) HIF1ACYP3A4KDM4EALOX15ALDH1A1
SCHEMBL9826933 0.72 MAOA (0.63) MAOAHIF1ACYP3A4KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0182210-A2 Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-05-28 EP claimed
EP-0182210-B1 CEPHALOSPORIN DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-02-27 EP disclosed
US-4742053-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1988-05-03 US disclosed
EP-0182210-A2 Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-05-28 EP disclosed