SCHEMBL3390732

SCHEMBL3390732

CCOC(=O)c1cc(CC(C)(C)C)[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.45
HCAR2 Q8TDS4 4/20 0.45
TP53 P04637 2/20 0.44
THRB P10828 1/20 0.44
CYP1A2 P05177 1/20 0.42
PDE4D Q08499 1/20 0.41

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
SCHEMBL1233899 0.84 HCAR2 (0.64) KMT2ANPSR1L3MBTL1POLBHCAR2
SCHEMBL7705757 0.83 HCAR2 (0.59) KMT2ANPSR1L3MBTL1POLBHCAR2
SCHEMBL4002119 0.81 KMT2A (0.50) KMT2ANPSR1L3MBTL1POLBTP53
SCHEMBL20468132 0.81 HCAR2 (0.53) KMT2ANPSR1L3MBTL1POLBHCAR2
SCHEMBL21607841 0.81 HCAR2 (0.66) KMT2ANPSR1L3MBTL1POLBHCAR2
SCHEMBL1259028 0.81 HCAR2 (0.66) KMT2ANPSR1L3MBTL1POLBHCAR2
SCHEMBL11093186 0.81 KMT2A (0.50) KMT2ANPSR1L3MBTL1POLBHCAR2
SCHEMBL20525148 0.81 KMT2A (0.50) KMT2ANPSR1L3MBTL1POLBHCAR2
SCHEMBL21810968 0.81 KMT2A (0.48) KMT2ANPSR1L3MBTL1POLBHCAR2
SCHEMBL1232913 0.81 POLB (0.41) KMT2ANPSR1L3MBTL1POLBHCAR2

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-2010043633-A1 2H-PYRAZOLO [4,3-D]PYRIMIDIN-5-AMINE DERIVATIVES AS H4 HISTAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGIC, IMMUNOLOGICAL AND INFLAMMATORY DISEASES PALAU PHARMA, S. A. (ES) 2010-04-22 WO disclosed