SCHEMBL10077266

SCHEMBL10077266

Cc1ccc2nc(-c3ccc(O)cc3)c(Nc3ccc4c(c3)OCO4)n2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 19/20 1.00
▸ GAA P10253 15/20 1.00
▸ TP53 P04637 8/20 0.89
▸ KDM4E B2RXH2 5/20 0.89
▸ ALDH1A1 P00352 4/20 0.89
▸ HPGD P15428 3/20 0.89
▸ HTT P42858 3/20 0.89
▸ MAPK1 P28482 2/20 0.75
▸ SMN1; SMN2 Q16637 4/20 0.67
▸ L3MBTL1 Q9Y468 2/20 0.67
▸ TDP1 Q9NUW8 2/20 0.67
▸ LMNA P02545 1/20 0.67
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ POLB P06746 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ THRB P10828 1/20 0.61

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
SCHEMBL31344107 0.86 MAPT (1.00) MAPTGAATP53KDM4EALDH1A1
SCHEMBL10077294 0.86 MAPT (1.00) MAPTGAATP53KDM4EALDH1A1
SCHEMBL30360212 0.83 MAPT (0.73) MAPTGAATP53KDM4EALDH1A1
SCHEMBL2249852 0.82 MAPT (0.70) MAPTGAATP53KDM4EALDH1A1
SCHEMBL2250631 0.80 MAPT (1.00) MAPTGAATP53KDM4EALDH1A1
SCHEMBL2255496 0.78 MAPT (0.72) MAPTGAATP53KDM4EALDH1A1
SCHEMBL14016031 0.77 MAPT (0.70) MAPTGAATP53KDM4EALDH1A1
SCHEMBL2252119 0.77 MAPT (0.78) MAPTGAATP53KDM4EALDH1A1
SCHEMBL2254064 0.76 MAPT (0.72) MAPTGAATP53KDM4EALDH1A1
SCHEMBL10077405 0.76 MAPT (1.00) MAPTGAATP53KDM4EALDH1A1

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-2012016133-A2 ROS1 KINASE INHIBITORS FOR THE TREATMENT OF GLIOBLASTOMA AND OTHER P53-DEFICIENT CANCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-02-02 — — WO disclosed
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