SCHEMBL5076187

SCHEMBL5076187

O=C(Oc1cccnc1)OC1CC2C=CC1C2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
KMT2A Q03164 8/20 0.39
ALOX15 P16050 2/20 0.39
MAPT P10636 6/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
MEN1 O00255 3/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5076186 0.84 GAA (0.39) GAAALDH1A1KDM4EUSP2POLB
SCHEMBL2139966 0.79 GAA (0.42) GAAKMT2AALOX15MAPTALDH1A1
SCHEMBL5075645 0.75 FURIN (0.36) GAAKMT2AALDH1A1KDM4EMEN1
SCHEMBL5076248 0.75 BCHE (0.44) KMT2AMAPTALDH1A1KDM4EUSP2
SCHEMBL6294601 0.73 KMT2A (0.57) GAAKMT2AALOX15MAPTALDH1A1
SCHEMBL14449006 0.73 KDM4E (0.47) GAAKMT2AALDH1A1KDM4EATM
SCHEMBL4402348 0.73 KDM4E (0.47) GAAKMT2AALDH1A1KDM4EATM
SCHEMBL2138013 0.72 KMT2A (0.44) GAAKMT2AALOX15MAPTALDH1A1
SCHEMBL5182162 0.68 KDM4E (0.42) GAAKMT2AALOX15ALDH1A1KDM4E
SCHEMBL9002813 0.68 KMT2A (0.59) GAAKMT2AALOX15MAPTALDH1A1

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-1937734-A2 BIOCIDAL POLYMERS KE-KELIT Kunststoffwerk Gesellschaft m.b.H. (AT) 2008-07-02 EP disclosed
WO-2007045634-A2 BIOCIDAL POLYMERS KE KELIT KUNSTSTOFFWERK GESMBH (AT) 2007-04-26 WO disclosed