SCHEMBL6176850

SCHEMBL6176850

COc1nc(Nc2ccccc2N)nc(OC)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
GAA P10253 5/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
RAB9A P51151 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
HTT P42858 2/20 0.50
THRB P10828 1/20 0.50
RECQL P46063 1/20 0.50
MMP14 P50281 1/20 0.50
NPC1 O15118 2/20 0.48
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL6180534 0.79 MEN1 (0.48) MAPTGAAALDH1A1RAB9AKMT2A
SCHEMBL6179386 0.79 GAA (0.49) MAPTGAAALDH1A1KDM4ERAB9A
SCHEMBL6178909 0.79 MAPT (0.45) MAPTGAAALDH1A1KDM4ERAB9A
SCHEMBL6179197 0.78 LMNA (0.48) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL6178784 0.78 GAA (0.48) MAPTGAAALDH1A1KDM4ERAB9A
SCHEMBL6178841 0.73 MAPK1 (0.51) MAPTGAAALDH1A1RAB9AKMT2A
SCHEMBL19861988 0.72 ALDH1A1 (0.53) MAPTGAAALDH1A1RAB9AKMT2A
SCHEMBL26812628 0.71 SMN1; SMN2 (0.70) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL4317620 0.71 ALDH1A1 (0.57) MAPTGAAALDH1A1KDM4ERAB9A
SCHEMBL1922107 0.71 MAPT (0.62) MAPTGAAALDH1A1KDM4ERAB9A

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-1132387-B1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL FUNGICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2005-09-28 EP claimed