SCHEMBL7963156

SCHEMBL7963156

COc1ccc(C=NNc2nccnc2OC)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.57
RAB9A P51151 9/20 0.57
MAPT P10636 7/20 0.57
PKM P14618 6/20 0.57
SMN1; SMN2 Q16637 6/20 0.55
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 2/20 0.55
HPGD P15428 1/20 0.55
NPC1 O15118 6/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
MAPK1 P28482 2/20 0.47
ADORA2A P29274 1/20 0.46
HTT P42858 4/20 0.45
POLB P06746 3/20 0.45
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL7963150 1.00 GAA (0.57) GAARAB9AMAPTPKMSMN1; SMN2
SCHEMBL7961929 0.91 KMT2A (0.67) GAARAB9AMAPTPKMSMN1; SMN2
SCHEMBL7961926 0.91 KMT2A (0.67) GAARAB9AMAPTPKMSMN1; SMN2
SCHEMBL7963295 0.83 KMT2A (0.65) GAARAB9AMAPTPKMSMN1; SMN2
SCHEMBL7963300 0.83 KMT2A (0.65) GAARAB9AMAPTPKMSMN1; SMN2
SCHEMBL7960927 0.82 MAPT (0.52) GAARAB9AMAPTPKMSMN1; SMN2
SCHEMBL7960932 0.82 MAPT (0.52) GAARAB9AMAPTPKMSMN1; SMN2
SCHEMBL7962191 0.79 GAA (0.47) GAARAB9AMAPTPKMSMN1; SMN2
SCHEMBL7963832 0.79 KMT2A (0.50) GAARAB9AMAPTPKMSMN1; SMN2
SCHEMBL7963833 0.79 KMT2A (0.50) GAARAB9AMAPTPKMSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329378-B1 HETEROCYCLIC FUNGICIDES AND ANTIGROWTH AGENTS ANADYS PHARMACEUTICALS, INC. 2001-12-11 US claimed
US-6329378-B1 HETEROCYCLIC FUNGICIDES AND ANTIGROWTH AGENTS ANADYS PHARMACEUTICALS, INC. 2001-12-11 US disclosed