SCHEMBL29548856

SCHEMBL29548856

COc1cccc(/C=N\Nc2nc(N/N=C\c3cccc(OC)c3O)c3ccccc3n2)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.68
KMT2A Q03164 9/20 0.68
MEN1 O00255 6/20 0.68
TDP1 Q9NUW8 5/20 0.68
POLB P06746 3/20 0.68
MCL1 Q07820 1/20 0.68
HTT P42858 8/20 0.59
KDM4E B2RXH2 8/20 0.59
GAA P10253 5/20 0.59
KDM4C Q9H3R0 1/20 0.59
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
RAB9A P51151 7/20 0.57
NPC1 O15118 7/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
LMNA P02545 5/20 0.57
TNNI3 P19429 1/20 0.57

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
SCHEMBL2800636 0.80 MAPT (0.68) MAPTKMT2AMEN1TDP1POLB
SCHEMBL6419561 0.72 MAPT (0.53) MAPTKMT2AMEN1TDP1POLB
SCHEMBL5815648 0.72 NPC1 (0.74) MAPTKMT2AMEN1TDP1POLB
SCHEMBL13549798 0.72 NPC1 (0.74) MAPTKMT2AMEN1TDP1POLB
SCHEMBL5815653 0.72 NPC1 (0.74) MAPTKMT2AMEN1TDP1POLB
SCHEMBL6714010 0.72 MAPT (0.67) MAPTKMT2AMEN1TDP1POLB
SCHEMBL7626803 0.71 MAPT (0.67) MAPTKMT2AMEN1TDP1POLB
SCHEMBL7626806 0.71 MAPT (0.67) MAPTKMT2AMEN1TDP1POLB
SCHEMBL19936663 0.71 MAPT (0.70) MAPTKMT2AMEN1TDP1POLB
SCHEMBL6413690 0.70 MAPT (0.51) MAPTKMT2AMEN1TDP1POLB

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-3986634-A1 SIZED MOLDS OBTAINABLE FROM A MOLDING MATERIAL MIXTURE CONTAINING AN INORGANIC BONDING AGENT AND PHOSPHATIC COMPOUNDS AND OXIDIC BORON COMPOUNDS AND METHOD FOR PRODUCTION AND USE THEREOF ASK Chemicals GmbH (DE) 2022-04-27 EP disclosed