SCHEMBL9819930

SCHEMBL9819930

COC(=O)Oc1cc(=O)c(OC)c2oc3ccc(Br)cc3nc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
TP53 P04637 3/20 0.37
CUL4A Q13619 1/20 0.36
MAPT P10636 6/20 0.35
KDM4E B2RXH2 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
USP2 O75604 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35

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
SCHEMBL9820096 0.86 PPARG (0.42) TP53MAPTKDM4ERAB9ASMN1; SMN2
B-D-Galactose SCHEMBL9820042 0.74 SLC5A2 (0.38) CA12CA9MAPTKDM4ESMN1; SMN2
SCHEMBL9820046 0.66 GRIN1 (0.36) CA12CA9MAPTKDM4ERAB9A
SCHEMBL21612949 0.66 XDH (0.47) TP53MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL9819995 0.66 AGPAT2 (0.44) TP53MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9819970 0.64 MEN1 (0.42) TP53MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL13257845 0.64 PIK3CA (0.51) TP53MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL26667049 0.63 HPGD (0.48) MAPTKDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL23388820 0.62 ALDH1A1 (0.50) CUL4AMAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL29750502 0.62 ALDH1A1 (0.50) CUL4AMAPTKDM4ERAB9ASMN1; SMN2

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-0156347-B1 GLYCOSIDES OF RESOFURIN DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE IN THE DETERMINATION OF THE ACTIVITY OF GLYCOSIDASES Roche Diagnostics GmbH (DE) 1991-09-04 EP disclosed