SCHEMBL16936153

SCHEMBL16936153

Cc1c(NC2=CC(=O)C=CC2=O)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.56
▸ MAPT P10636 5/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ GLA P06280 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ ALDH1A1 P00352 7/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ TSHR P16473 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL10595695 0.79 GAA (0.77) GAAMAPTKDM4EGLACYP1A2
SCHEMBL11382565 0.76 GAA (0.78) GAAMAPTKDM4EGLACYP1A2
SCHEMBL537958 0.75 KDM4E (0.69) GAAMAPTKDM4EGLACYP1A2
SCHEMBL18000055 0.74 KDM4E (0.68) GAAMAPTKDM4EGLACYP1A2
SCHEMBL4447238 0.74 KDM4E (0.68) GAAMAPTKDM4EGLACYP1A2
Magnesium SCHEMBL29732237 0.74 KDM4E (0.68) GAAMAPTKDM4EGLACYP1A2
SCHEMBL8651089 0.74 KDM4E (0.68) GAAMAPTKDM4EGLACYP1A2
SCHEMBL6669513 0.73 GAA (0.74) GAAMAPTKDM4EGLACYP1A2
SCHEMBL3135935 0.73 GAA (0.63) GAAMAPTKDM4EGLACYP1A2
SCHEMBL28880300 0.73 TSHR (0.81) GAAMAPTKDM4EALDH1A1MEN1

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-2015110949-A1 IMATINIB AS CHOLESTEROL DECREASING AGENT NOVARTIS AG (CH) 2015-07-30 — — WO disclosed
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