SCHEMBL9843531

SCHEMBL9843531

O=Cc1c2occc2cc2oc3ccccc3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
KDM4E B2RXH2 2/20 0.40
THRB P10828 1/20 0.40
ESR2 Q92731 1/20 0.39
TOP2A P11388 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOA P21397 6/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
PGAM1 P18669 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL9778972 0.80 KDM4E (0.45) MGAMGAASIMGAM2KDM4E
SCHEMBL9754638 0.77 MAOA (0.41) MGAMGAASIMGAM2KDM4E
SCHEMBL9754514 0.76 CSNK2A1 (0.47) MGAMGAASIMGAM2KDM4E
SCHEMBL9843460 0.74 GAA (0.38) MGAMGAASIMGAM2KDM4E
SCHEMBL9102343 0.72 ERN1 (0.51) MGAMGAASIMGAM2KDM4E
SCHEMBL11823570 0.72 MAOA (0.50) KDM4EMEN1RAB9AKMT2AMAOA
SCHEMBL9754603 0.70 ALDH1A1 (0.45) GAAKDM4EMEN1RAB9AKMT2A
SCHEMBL9536657 0.68 MAOA (0.45) MGAMGAASIMGAM2KDM4E
SCHEMBL9843654 0.68 SLC2A1 (0.35) MGAMGAASIMGAM2ESR2
SCHEMBL9754461 0.68 KDM4E (0.42) KDM4ETHRBESR2TOP2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0447703-A1 Hetero polycyclic biocidal compounds, their synthesis and intermediates therefor,formulations containing them and their use in medicine THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-25 EP disclosed