SCHEMBL12811335

SCHEMBL12811335

COc1cc(CCNc2ncnc3nccnc23)ccc1Oc1ccc(N)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.52
▸ HTT P42858 4/20 0.52
▸ TSHR P16473 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ POLB P06746 2/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MAPK1 P28482 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ STAT3 P40763 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ APP P05067 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ RECQL P46063 1/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ NR2F2 P24468 3/20 0.45
▸ GALR3 O60755 2/20 0.45
▸ GAA P10253 1/20 0.43
▸ USP2 O75604 1/20 0.39

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
SCHEMBL12811751 0.89 MAPT (0.51) MAPTHTTTSHRLMNAPOLB
SCHEMBL12788045 0.87 NPC1 (0.48) MAPTHTTTSHRLMNAPOLB
SCHEMBL12788042 0.86 MAPT (0.47) MAPTHTTTSHRLMNAPOLB
SCHEMBL12811456 0.83 KDM4E (0.42) HTTTSHRLMNAPOLBSMN1; SMN2
SCHEMBL12788003 0.81 SMN1; SMN2 (0.54) MAPTHTTTSHRLMNAPOLB
SCHEMBL12788866 0.81 MAPT (0.48) MAPTHTTTSHRLMNAPOLB
SCHEMBL12788071 0.80 NPC1 (0.48) MAPTHTTTSHRLMNAPOLB
SCHEMBL12788054 0.80 MAPT (0.48) MAPTHTTTSHRLMNAPOLB
SCHEMBL12788920 0.80 MAPT (0.57) MAPTHTTTSHRLMNAPOLB
SCHEMBL12788745 0.79 MAPT (0.47) MAPTHTTTSHRLMNAPOLB

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
WO-2011025505-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 — — WO disclosed
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