SCHEMBL10077260

SCHEMBL10077260

CN(C)c1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 18/20 1.00
▸ TP53 P04637 9/20 1.00
▸ GAA P10253 15/20 0.73
▸ SMN1; SMN2 Q16637 4/20 0.73
▸ KDM4E B2RXH2 2/20 0.68
▸ TDP1 Q9NUW8 2/20 0.68
▸ NPC1 O15118 1/20 0.68
▸ RAB9A P51151 1/20 0.68
▸ HTT P42858 2/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ HPGD P15428 1/20 0.63
▸ KMT2A Q03164 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ ALOX5 P09917 1/20 0.56

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
SCHEMBL19568911 0.82 MAPT (1.00) MAPTTP53GAASMN1; SMN2KDM4E
SCHEMBL12360676 0.81 MAPT (1.00) MAPTTP53GAASMN1; SMN2KDM4E
SCHEMBL19568944 0.81 MAPT (0.69) MAPTTP53GAASMN1; SMN2KDM4E
SCHEMBL17131808 0.78 MAPT (0.89) MAPTTP53GAASMN1; SMN2KDM4E
SCHEMBL10077268 0.76 MAPT (1.00) MAPTTP53GAASMN1; SMN2KDM4E
SCHEMBL10077405 0.75 MAPT (1.00) MAPTTP53GAASMN1; SMN2KDM4E
SCHEMBL2249830 0.73 MAPT (0.70) MAPTTP53GAASMN1; SMN2KDM4E
SCHEMBL17131819 0.72 MAPT (1.00) MAPTTP53GAASMN1; SMN2TDP1
SCHEMBL19569163 0.72 MAPT (0.83) MAPTTP53GAASMN1; SMN2KDM4E
SCHEMBL10077266 0.71 MAPT (1.00) MAPTTP53GAASMN1; SMN2KDM4E

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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